3-[(4-Methylphenyl)sulfanyl]propanenitrile
Basic information
- CAS
5331-06-6- Standard SMILES
Cc1ccc(SCCC#N)cc1- InChIKey
UAYGYWCMHLUBCP-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122053
Names & identifiers
- Preferred name
- 3-[(4-Methylphenyl)sulfanyl]propanenitrile
- IUPAC
- 3-(4-methylphenyl)sulfanylpropanenitrile
Names & synonyms
3-[(4-Methylphenyl)thio]propanenitrile5331-06-63-[(4-methylphenyl)sulfanyl]propanenitrileF1900-00263-(4-methylphenyl)sulfanylpropanenitrileNSC22393-(p-tolylthio)propiononitrileSCHEMBL158569773-(p-tolylsulfanyl)propanenitrileDTXSID90277401HMS1761L21SMSSF-0613449
Show more names
NSC-2239AKOS0002170983-[(4-METHYLPHENYL)THIO]PROPIONITRILEEN300-236384F511723Z54555980
Database identifiers
- CAS
5331-06-6- PubChem CID
- 220032
- DTXSID
DTXSID90277401- Nikkaji
- J2.530.369E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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