CAS 111-31-9|Hexyl mercaptan|1-hexanethiol|1-Mercaptohexane|Hexane-1-thiol 98%|hexane-1-thiol|N-HEXYL MERCAPTAN|Mercaptan C6|1-己硫醇|MCH|1-Hexanethiol|n-Hexyl mercaptan

General Information

Structure

Molecular Formula

C₆H₁₄S

Molecular Mass

118.24036

Exact Mass

118.08162145

Charge

InChI

InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey

PMBXCGGQNSVESQ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCS

Isomeric Smiles

SCCCCCC

Calculated Properties

JChem

Acid pKa

10.200824

H Acceptors

H Donor

LogD (pH = 5.5)

2.9458206

LogD (pH = 7.4)

2.9451916

Log P

2.9458287

Molar Refractivity

37.3655

Polarizability

14.860997

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Hexyl mercaptan1-MercaptohexaneHexane-1-thiol 98%N-HEXYL MERCAPTANMercaptan C61-己硫醇MCH1-Hexanethioln-Hexyl mercaptan

IUPAC Traditional name

1-hexanethiol

IUPAC name

hexane-1-thiol

Names and Identifiers

Registration numbers

EC Number

203-857-0

PubChem SID

162075320248540282487761124901904

Beilstein Number

CAS Number

MDL Number

PubChem CID

Flavis Number

FEMA ID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05215532

MP Biomedicals Rare Chemical collection

Sigma Aldrich

W384208

Biochem/physiol Actions
Odor at 1%
Taste at 1-3 ppm

234192

Application
Used to tune the electrical characteristics in networked carbon nanotube field-effect transistors.1 Also 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.2
Packaging
5, 100, 500 mL in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity