Chemical Compound
4-Methyl-3-(methylsulfanyl)benzonitrile
CAS Registry Number860572-84-5
Primary record
4-Methyl-3-(methylsulfanyl)benzonitrile
- CAS
- 860572-84-5
- PubChem CID
- 58133792
- SMILES
- CC1=C(C=C(C=C1)C#N)SC
- Molecular Formula
- C9H9NS
- Molecular Weight
- 163.245
- Exact Mass
- 163.0456
- InChI
- InChI=1S/C9H9NS/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,1-2H3
- InChIKey
- WZECYMKXRCNGTK-UHFFFAOYSA-N
- LogP
- 2.5886
- TPSA
- 23.79
Names and synonyms
- SCHEMBL124070
- 4-Methyl-3-(methylsulfanyl)benzonitrile
- 4-methyl-3-(methylthio)benzonitrile
- DB-090693
- 860572-84-5