1-Hexanethiol 96%

CAT: 0286-H05375-01Size: 5 mLDry Ice: NoHazardous: Yes

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CAT#:0286-H05375-01Size:5 mL

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CAS Number

111-31-9

Synonyms

N-Hexyl mercaptan

UN Code

UN3336

Pictogram

02 - Flammable; 06 - Acute Toxicity; 07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00004909

Hazard Statement

H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation.

DOT Name

Mercaptans, Liquid, Flammable, N.O.S.

DOT Classification

Class 3

Packaging Group

PGII

Precautions

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1-Hexanethiol

1-Hexanethiol is an alkanethiol.

CAS Number	111-31-9
PubChem CID	8106
IUPAC Name	hexane-1-thiol
Molecular Formula	C6H14S
Molecular Weight	118.24
XLogP	3.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	27

SMILES

CCCCCCS

InChI

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

InChIKey

PMBXCGGQNSVESQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-31-9

CID: 8106

Formula: C6H14S

MW: 118.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	118.24
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	118.08162162
Monoisotopic Mass	118.08162162
Topological Polar Surface Area	1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
sc-280227	1-Hexanethiol
279702-01	N-Hexanethiol
FA167485-01	6-Amino-1-hexanethiol hydrochloride
JFA02992-01	6- (Ferrocenyl) hexanethiol
A425-12	6-Amino-1-hexanethiol Hydrochloride, 100 mg
A425-10	6-Amino-1-hexanethiol Hydrochloride, 10 mg
PC106595	1H,1H,2H,2H-Perfluoro-1-hexanethiol
sc-231956	3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanethiol
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-100	1,1,1,1-Kestohexaose

1-Hexanethiol 96%

Chemical Information

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