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(±)-3-Hexanethiol

(±)-3-Hexanethiol structure

CAS No:
1633-90-5
Formula:
C6H14S
Chemical Name:
(±)-3-Hexanethiol
Synonyms:
3-Hexanethiol;3-Mercaptohexane;(±)-3-Hexanethiol;110503-15-6
Categories:
Chemical Reagents > Organic Reagents

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(±)-3-Hexanethiol Basic Attributes

Molecular Weight：

118.24

Exact Mass：

118.24

EC Number：

216-650-5

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.49490

Density：

0.832 g/cm³ @ Temp: 20 °C

Melting Point：

-113.76°C (estimate)

Boiling Point：

57 °C

Flash Point：

29.5ºC

Refractive Index：

1.4496

Safety Information

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:118.24
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:118.08162162
Monoisotopic Mass:118.08162162
Topological Polar Surface Area:1
Heavy Atom Count:7
Complexity:35.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes