n-octanethiol profile

n-Octanethiol is a long-chain alkanethiol with a sulfur atom at the end of the chain. It is a colorless liquid with a strong odor. n-Octanethiol is used in the synthesis of self-assembled monolayers (SAMs) on gold surfaces. SAMs are ordered, one-molecule thick films that are used in a variety of applications, including:
* nanotechnology
* molecular electronics
* biosensing
* corrosion protection
* surface modification

n-Octanethiol is also used as a lubricant and as an additive in the production of plastics and rubber. The compound is commonly studied due to its role in creating organized, thin films on metallic surfaces. This ability makes it useful in the study of chemical reactions and their mechanisms.
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octane-1-thiol : An alkanethiol that is octane substituted by a thiol group at position 1. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	8144
CHEMBL ID	3182056
CHEBI ID	188351
SCHEMBL ID	23406
MeSH ID	M0355689

Synonym
LS-13551
1-octanethiol
1-mercaptooctane
octylthiol
octane-1-thiol
n-octyl mercaptan
nsc-41903
nsc41903
octyl mercaptan
1-octylthiol
111-88-6
inchi=1/c8h18s/c1-2-3-4-5-6-7-8-9/h9h,2-8h2,1h
1-octanethiol, >=98.5%
nsc-151955
94805-33-1
O0025
CHEBI:188351
NCGC00249120-01
octanethiol
octylmercaptan
tox21_201799
NCGC00259348-01
cas-111-88-6
dtxcid506894
dtxsid4026894 ,
hsdb 5552
ec 203-918-1
unii-42go2pa46l
nsc 41903
42go2pa46l ,
n-octanethiol
ai3-06557
einecs 203-918-1
n-octylmercaptan
n-octanethiolate
FT-0608178
AKOS015897467
1-octyl mercaptan
1-octanethiol [hsdb]
n-octylthiol
BP-20994
SCHEMBL23406
octanethiol-(1)
octane thiol
n-octyl thiol
n-oct-1-yl mercaptan
octanthiol
1-octylmercaptan
CHEMBL3182056
J-002656
mfcd00004912
Q11883826
EN300-1289003

Class	Description
alkanethiol	An alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	24.6834	0.0030	41.6115	22,387.1992	AID1159553
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	55.7486	0.0008	17.5051	59.3239	AID1159527
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	27.9405	0.0002	29.3054	16,493.5996	AID743069
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	62.2754	0.0003	23.4451	159.6830	AID743065; AID743067
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (4.76)	18.2507
2000's	10 (47.62)	29.6817
2010's	8 (38.10)	24.3611
2020's	2 (9.52)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	22 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.41	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.02	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	2.01	1	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	2	1	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	2.08	1	quaternary ammonium ion
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	2.11	1
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	2.02	1	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.	2.02	1	mercaptopropanoic acid	algal metabolite
methyl 4-toluene sulfonate methyl 4-toluene sulfonate: catalyst in dental impression; material Scutan causing contact dermatitis; structure	2.05	1
octylamine octylamine: RN given refers to 1-octylamine. octan-1-amine : An 8-carbon primary aliphatic amine.	2.08	1	primary aliphatic amine	metabolite
pelargonic acid pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure. nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.	2.08	1	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite
dodecylmercaptan dodecylmercaptan: used in polymerization of neoprenes; structure	2.71	3
adamantane Adamantane: A tricyclo bridged hydrocarbon.	2.03	1	adamantanes; polycyclic alkane
methylphenazonium methosulfate Methylphenazonium Methosulfate: Used as an electron carrier in place of the flavine enzyme of Warburg in the hexosemonophosphate system and also in the preparation of SUCCINIC DEHYDROGENASE.	2	1	azaheterocycle sulfate salt; phenazines
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.07	1	zinc molecular entity
n-octadecyl mercaptan n-octadecyl mercaptan: structure given in first source	2.45	2
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	3.99	13	copper group element atom; elemental gold
sodium sulfate [no description available]	2.01	1	inorganic sodium salt
gold tetrachloride, acid gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1)	2.02	1
3-(trimethoxysilyl)propylamine 3-(trimethoxysilyl)propylamine: reagent for making polymers; structure in first source	2.02	1
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	2.05	1	cobalt group element atom; metal allergen	micronutrient
chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion.	2.01	1	chlorine oxoanion; monovalent inorganic anion
fullerene c60 Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.	2.03	1	fullerene	geroprotector
1-methoxy-5-methylphenazinium methyl sulfate [no description available]	2	1
carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.	2.1	1	carbodiimide
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.01	1	cyclodextrin
alpha-cyclodextrin alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units.	2.49	2	cyclodextrin
sodium chlorate sodium chlorate : An inorganic sodium salt that has chlorate as the counter-ion. An oxidising agent, it is used for bleaching paper and as a herbicide. It is also used in the manufacture of dyes, explosives and matches.	2.01	1	chlorate salt; inorganic sodium salt	herbicide
11-mercaptoundecanoic acid [no description available]	2.21	1
gma-edma GMA-EDMA: copolymer of glycidyl methacrylate & ethylene dimethacrylate; used for enzyme immobilization	2.07	1
1-palmitoyl-2-oleoylglycero-3-phosphoserine {1-O-hexadecanoyl-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho}serine : A 3-sn-phosphatidyl-L-serine compound with a palmitoyl group at the 1-position and an oleoyl group at the 2-position.	2.02	1	3-sn-phosphatidyl-L-serine
1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer	2.41	2
tetramethylrhodamine tetramethylrhodamine: RN given refers to perchlorate; structure	2.1	1	xanthene dye
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2.41	2	1,2-diacyl-sn-glycero-3-phosphocholine
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	2.05	1

Condition	Indicated	Relationship Strength	Studies	Trials
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	2.42	2	0

n-octanethiol

Description

Cross-References

Synonyms (53)

Drug Classes (1)

Protein Targets (4)

Potency Measurements

Research

Studies (21)

Market Indicators

Research Demand Index: 12.31

Study Types