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2,2-Dimethyl-1-propanethiol

2,2-Dimethyl-1-propanethiol structure

CAS No:
1679-08-9
Formula:
C5H12S
Chemical Name:
2,2-Dimethyl-1-propanethiol
Synonyms:
1-Propanethiol,2,2-dimethyl-;2,2-Dimethyl-1-propanethiol;Neopentyl mercaptan;2,2-Dimethylpropanethiol;Neopentanethiol

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2,2-Dimethyl-1-propanethiol Basic Attributes

Molecular Weight：

104.21

Exact Mass：

104.21

EC Number：

216-842-9

DSSTox ID：

DTXSID90168426

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

1.96230

Density：

0.8253

Melting Point：

-67°C

Boiling Point：

83-103 °C @ Press: 760 Torr

Flash Point：

5ºC

Refractive Index：

1.4367

Vapor Pressure：

49.4mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, 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:104.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:104.06597156
Monoisotopic Mass:104.06597156
Topological Polar Surface Area:1
Heavy Atom Count:6
Complexity:33.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Dimethyl-1-propanethiol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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