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

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

CAS No:
175201-64-6
Formula:
C13H13NOS2
Chemical Name:
2-(3-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Synonyms:
HMS1440H14;

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

Molecular Weight：

263.37800

Exact Mass：

263.04385639

DSSTox ID：

DTXSID60380996

HScode：

2930909090

Characteristics

PSA：

91.46000

XLogP3：

3.63888

Density：

1.209g/cm3

Melting Point：

53ºC

Boiling Point：

383.4ºC at 760mmHg

Flash Point：

185.7ºC

Refractive Index：

1.607

Vapor Pressure：

4.4E-06mmHg at 25°C

Computed Properties

Molecular Weight:263.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:263.04385639
Monoisotopic Mass:263.04385639
Topological Polar Surface Area:91.5
Heavy Atom Count:17
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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