Propanenitrile, 2-methyl-2-(methylthio)-
Basic information
- CAS
10074-86-9- Standard SMILES
CSC(C)(C)C#N- InChIKey
BCTCSDKMQQXRKZ-UHFFFAOYSA-N- Molecular formula
- C5H9NS
- Average molar mass
- 115.2 g/mol
- Monoisotopic mass
- 115.04557046
Names & identifiers
- Preferred name
- Propanenitrile, 2-methyl-2-(methylthio)-
- IUPAC
- 2-methyl-2-methylsulfanylpropanenitrile
Names & synonyms
Propanenitrile, 2-methyl-2-(methylthio)-Aldicarb nitrile9H62TJ5TPXDTXSID30143479RefChem:202739DTXCID106597010074-86-92-methyl-2-(methylsulfanyl)propanenitrile2-Methyl-2-(methylthio)propanenitrile2-methyl-2-methylsulfanylpropanenitrilePropionitrile, 2-methyl-2-(methylthio)-UNII-9H62TJ5TPX
Show more names
SCHEMBL141305992-methyl-2-methylthiopropionnitrileMFCD21127166AKOS0144641702-methyl-2-methylsulfanyl-propanenitrileCS-0223347EN300-114885G47518
Database identifiers
- CAS
10074-86-9- PubChem CID
- 119417
- DTXSID
DTXSID30143479- UNII
- 9H62TJ5TPX
- Nikkaji
- J1.308.582J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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