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3-Mercapto-3-methylhexan-1-ol

3-Mercapto-3-methylhexan-1-ol structure

CAS No:
307964-23-4
Formula:
C7H16OS
Chemical Name:
3-Mercapto-3-methylhexan-1-ol
Synonyms:
1-Hexanol,3-mercapto-3-methyl-;3-Mercapto-3-methyl-1-hexanol;3-Methyl-3-sulfanyl-1-hexanol;3-Methyl-3-mercapto-1-hexanol;3-Mercapto-3-methylhexan-1-ol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3-methyl-3-sulfanylhexan-1-ol is a primary alcohol that is hexan-1-ol which is substituted by a methyl group and a thiol group at position 3. It is the odor component of human axilla sweat and the major species at pH 7.3. It has a role as a human metabolite. It is a thiol, a primary alcohol and a volatile organic compound. It derives from a hexan-1-ol.

3-Mercapto-3-methylhexan-1-ol Basic Attributes

Molecular Weight：

148.27

Exact Mass：

148.27

EC Number：

608-525-2

DSSTox ID：

DTXSID90435943

Characteristics

PSA：

59.03000

XLogP3：

1.85740

Density：

0.952±0.06 g/cm3

Boiling Point：

220.5±23.0 °C(Predicted)

Flash Point：

87.184ºC

Refractive Index：

1.476

PKA：

10.92±0.10

Drug Information

MeSH Entry Terms：

3-methyl-3-sulfanylhexan-1-ol

Computed Properties

Molecular Weight:148.27
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:148.09218630
Monoisotopic Mass:148.09218630
Topological Polar Surface Area:21.2
Heavy Atom Count:9
Complexity:75.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 3-Mercapto-3-methylhexan-1-ol

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Guide of 3-Mercapto-3-methylhexan-1-ol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Latest News
Learn More Other Chemicals

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