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2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile structure

CAS No:
175137-55-0
Formula:
C9H11NOS2
Chemical Name:
2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Synonyms:
HMS1440L19;

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2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile Basic Attributes

Molecular Weight：

213.32000

Exact Mass：

213.02820632

DSSTox ID：

DTXSID40380919

Characteristics

PSA：

91.46000

XLogP3：

2.42668

Density：

1.292g/cm3

Melting Point：

55-57ºC

Boiling Point：

342.8ºC at 760mmHg

Flash Point：

161.1ºC

Refractive Index：

1.609

Vapor Pressure：

7.33E-05mmHg at 25°C

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26; S36/37/39

Computed Properties

Molecular Weight:213.3
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:213.02820632
Monoisotopic Mass:213.02820632
Topological Polar Surface Area:91.5
Heavy Atom Count:13
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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