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2-(cyanomethylsulfanyl)acetonitrile

2-(cyanomethylsulfanyl)acetonitrile structure

CAS No:
5848-75-9
Formula:
C4H4N2S
Chemical Name:
2-(cyanomethylsulfanyl)acetonitrile
Synonyms:
Thiodiacetonitrile; Acetonitrile,2,2'-thiobis; thiobismethylenyl dinitrile; 1,3-dicyano-2-thiapropane; bis(cyanomethyl)sulfide; sulfanediyl-bis-acetonitrile; 2-[(cyanomethyl)thio]acetonitrile;Expand

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2-(cyanomethylsulfanyl)acetonitrile Basic Attributes

Molecular Weight：

112.15300

Exact Mass：

112.00951931 g/mol

NSC Number：

607750

DSSTox ID：

DTXSID90326660

Characteristics

PSA：

72.88000

XLogP3：

0.76676

Density：

1.176g/cm3

Boiling Point：

282ºC

Flash Point：

123.2ºC

Refractive Index：

1.507

Safety Information

hazard class code：

R20/21/22

safety instructions：

S22-S36/37

Computed Properties

Molecular Weight:112.16
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:112.00951931
Monoisotopic Mass:112.00951931
Topological Polar Surface Area:72.9
Heavy Atom Count:7
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(cyanomethylsulfanyl)acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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