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1-Hexanethiol - 96%, high purity , CAS No.111-31-9

28 Citations

COA

Grade & Purity:

≥96%

Cas Number: 111-31-9
Molecular Weight: 118.24
Beilstein Registry Number: 1731295
EC Number: 203-857-0
MDL number: MFCD00004909
PubChem CID: 8106

In stock

Item Number

H100786

Grouped product items
SKU	Size	Availability	Price
H100786-5ml	5ml	2	$19.90
H100786-25ml	25ml	3	$46.90
H100786-100ml	100ml	3	$95.90
H100786-500ml	500ml	2	$239.90

View related series

C6 Alkyl Groups (1) Linear Alkyl Sources (1) Monothiols (2) Thiol Capping Agents (1) Thiols (34)

Basic Description

Synonyms	DTXSID0051574 \| DTXCID4030126 \| FS-4087 \| Mercaptan C6 \| n-Hexylthiol \| EINECS 203-857-0 \| NSC99106 \| AKOS015897424 \| USAF EK-4628 \| FT-0652492 \| Hexane-1-thiol \| SCHEMBL22331 \| EN300-267737 \| CAS-111-31-9 \| A802340 \| J-504659 \| 1-Hexyl mercaptan \| Hexylt
Specifications & Purity	≥96%
Storage Temp	Room temperature,Argon charged,Desiccated
Shipped In	Normal
Product Description	Used as a monolayer on copper surfaces to retard surface oxidation during exposure to the environment which can then be desorbed effectively with an annealing step in inert N2 to provide a clean Cu surface.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thiols
    - Subclass Alkylthiols

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thiols
Subclass	Alkylthiols
Intermediate Tree Nodes	Not available
Direct Parent	Alkylthiols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	hexane-1-thiol
INCHI	InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey	PMBXCGGQNSVESQ-UHFFFAOYSA-N
Smiles	CCCCCCS
Isomeric SMILES	CCCCCCS
WGK Germany	3
RTECS	MO4550000
UN Number	1228
Packing Group	II
Molecular Weight	118.24
Beilstein	1731295
Reaxy-Rn	1731295
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731295&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

33 results found

Lot Number	Certificate Type	Date	Item
E2125134	Certificate of Analysis	Mar 04, 2025	H100786
H2412438	Certificate of Analysis	Aug 06, 2024	H100786
H2412430	Certificate of Analysis	Aug 06, 2024	H100786
H2412431	Certificate of Analysis	Aug 06, 2024	H100786
H2412439	Certificate of Analysis	Aug 06, 2024	H100786
H2412442	Certificate of Analysis	Aug 06, 2024	H100786
F2513082	Certificate of Analysis	Jun 04, 2024	H100786
F2414253	Certificate of Analysis	Jun 04, 2024	H100786
F2404002	Certificate of Analysis	May 28, 2024	H100786
D2501397	Certificate of Analysis	Apr 27, 2024	H100786
I2413361	Certificate of Analysis	Apr 27, 2024	H100786
D2501400	Certificate of Analysis	Apr 27, 2024	H100786
D2501391	Certificate of Analysis	Apr 27, 2024	H100786
C2419165	Certificate of Analysis	Mar 13, 2024	H100786
C2419166	Certificate of Analysis	Mar 13, 2024	H100786
C2419167	Certificate of Analysis	Mar 13, 2024	H100786
C2023041	Certificate of Analysis	Jan 16, 2024	H100786
H2323442	Certificate of Analysis	Aug 16, 2023	H100786
H2323342	Certificate of Analysis	Aug 16, 2023	H100786
H2323344	Certificate of Analysis	Aug 16, 2023	H100786
H1923119	Certificate of Analysis	Jun 07, 2023	H100786
A2305346	Certificate of Analysis	Dec 12, 2022	H100786
A2305347	Certificate of Analysis	Dec 12, 2022	H100786
H2231837	Certificate of Analysis	Aug 23, 2022	H100786
H2231836	Certificate of Analysis	Aug 23, 2022	H100786
H2231835	Certificate of Analysis	Aug 23, 2022	H100786
C2204051	Certificate of Analysis	May 21, 2022	H100786
B2218520	Certificate of Analysis	Jan 21, 2022	H100786
B2218517	Certificate of Analysis	Jan 21, 2022	H100786
B2218544	Certificate of Analysis	Jan 21, 2022	H100786
B2218538	Certificate of Analysis	Jan 21, 2022	H100786
B2218513	Certificate of Analysis	Jan 17, 2022	H100786
B2218482	Certificate of Analysis	Jan 17, 2022	H100786

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Chemical and Physical Properties

Solubility	Difficult to mix in water.
Sensitivity	Air sensitive.Moisture sensitive
Refractive Index	1.447-1.451
Flash Point(°C)	30℃
Boil Point(°C)	150-154°C
Melt Point(°C)	-81--80°C
Molecular Weight	118.240 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	118.082 Da
Monoisotopic Mass	118.082 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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