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tert-Butyl sulfide

tert-Butyl sulfide structure

CAS No:
107-47-1
Formula:
C8H18S
Chemical Name:
tert-Butyl sulfide
Synonyms:
Propane,2,2′-thiobis[2-methyl-;tert-Butyl sulfide;2,2′-Thiobis[2-methylpropane];Di-tert-butyl sulfide;2,2,4,4-Tetramethyl-3-thiapentane;Bis(1,1-dimethylethyl) sulfide;NSC 4549;2-tert-Butylsulfanyl-2-methylpropane;2-(tert-Butylsulfanyl)-2-methylpropane;1079059-42-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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tert-Butyl sulfide Basic Attributes

Molecular Weight：

146.294

Exact Mass：

146.29

EC Number：

203-493-2

NSC Number：

4549

DSSTox ID：

DTXSID5021887

Characteristics

PSA：

25.30000

XLogP3：

3.34

Appearance：

CLEAR COLOURLESS LIQUID

Density：

1.001 g/cm³ @ Temp: 15 °C

Melting Point：

-9 °C

Boiling Point：

149.1 °C

Flash Point：

26.7±0.0 °C

Refractive Index：

1.451

Vapor Pressure：

5.22mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

hazard class code：

safety instructions：

S16

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (93.12%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 538 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

tert-Butyl sulfide Use and Manufacturing

Manufacturing Info：

Propane, 2,2'-thiobis[2-methyl-: ACTIVE

Computed Properties

Molecular Weight:146.30
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:146.11292175
Monoisotopic Mass:146.11292175
Topological Polar Surface Area:25.3
Heavy Atom Count:9
Complexity:69.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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TERT-BUTYL SULFIDE

CAS No.: 107-47-1

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CAS No.: 107-47-1

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