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2-(Methylthio)butane

2-(Methylthio)butane structure

CAS No:
10359-64-5
Formula:
C5H12S
Chemical Name:
2-(Methylthio)butane
Synonyms:
Butane,2-(methylthio)-;Sulfide,sec-butyl methyl;2-(Methylthio)butane;sec-Butyl methyl sulfide;2-Methylsulfanylbutane;2-(Methylsulfanyl)butane;64693-06-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(Methylthio)butane Basic Attributes

Molecular Weight：

104.21400

Exact Mass：

104.21

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

2.14790

Density：

0.824g/cm3

Boiling Point：

116-117ºC

Flash Point：

116-117ºC

Refractive Index：

1.445

Vapor Pressure：

29.3mmHg at 25°C

Safety Information

Packing level：

Transport codes：

UN 1993

hazard class code：

R11

safety instructions：

S16

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:104.22
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:104.06597156
Monoisotopic Mass:104.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:6
Complexity:27.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes