2-(cyanomethylsulfanyl)acetonitrile

Modify Date: 2024-01-10 14:22:13

2-(cyanomethylsulfanyl)acetonitrile Structure
2-(cyanomethylsulfanyl)acetonitrile structure
Common Name 2-(cyanomethylsulfanyl)acetonitrile
CAS Number 5848-75-9 Molecular Weight 112.15300
Density 1.176 g/cm3 Boiling Point 280.2ºC at 760 mmHg
Molecular Formula C4H4N2S Melting Point N/A
MSDS N/A Flash Point 123.2ºC

 Names

Name 2-(cyanomethylsulfanyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.176 g/cm3
Boiling Point 280.2ºC at 760 mmHg
Molecular Formula C4H4N2S
Molecular Weight 112.15300
Flash Point 123.2ºC
Exact Mass 112.01000
PSA 72.88000
LogP 0.76676
Index of Refraction 1.507

 Safety Information

Risk Phrases R20/21/22
Safety Phrases S22-S36/37

 Synthetic Route

~70%

2-(cyanomethylsulfanyl)acetonitrile Structure

2-(cyanomethyls...

CAS#:5848-75-9

Literature: Zhang, Shao-Lin; Damu, Guri L.V.; Zhang, Ling; Geng, Rong-Xia; Zhou, Cheng-He European Journal of Medicinal Chemistry, 2012 , vol. 55, p. 164 - 175

~71%

2-(cyanomethylsulfanyl)acetonitrile Structure

2-(cyanomethyls...

CAS#:5848-75-9

Literature: Kumar, Anil; Tilak, B. D. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 599 - 601

~%

2-(cyanomethylsulfanyl)acetonitrile Structure

2-(cyanomethyls...

CAS#:5848-75-9

Literature: Davies; Maclaren Journal of the Chemical Society, 1951 , p. 2595,2597

 Synonyms

sulfanediyl-bis-acetonitrile
Acetonitrile,2,2'-thiobis
bis(cyanomethyl)sulfide
Thiodiacetonitrile
2-[(cyanomethyl)thio]acetonitrile
thiobismethylenyl dinitrile
1,3-dicyano-2-thiapropane