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ISOBUTYLENESULFIDE

ISOBUTYLENESULFIDE structure

CAS No:
3772-13-2
Formula:
C4H8S
Chemical Name:
ISOBUTYLENESULFIDE
Synonyms:
ISOBUTYLENESULFIDE;2,2-DIMETHYLTHIIRANE;2-METHYLPROPYLENESULFIDE;2,2-DIMETHYLETHYLENESULFIDE;2,2-Dimethylthiacyclopropane;2,2-DimethylethyleneSulfide2,2-Dimethylthiirane2-MethylpropyleneSulfide
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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ISOBUTYLENESULFIDE Basic Attributes

Molecular Weight：

88.17

Exact Mass：

88.034668

DSSTox ID：

DTXSID70191151

HScode：

2931900090

Characteristics

PSA：

25.30000

XLogP3：

1.24

Density：

1.0±0.1 g/cm3

Boiling Point：

86°C

Flash Point：

-3.1±15.4 °C

Refractive Index：

1.498

Storage Conditions：

Refrigerator

Safety Information

Packing level：

Hazard category：

Transport codes：

1993

hazard class code：

11-23/24/25

safety instructions：

16-26-33-36/37/39

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

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, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:88.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Exact Mass:88.03467143
Monoisotopic Mass:88.03467143
Topological Polar Surface Area:25.3
Heavy Atom Count:5
Complexity:47.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes