Primary record
DTXSID201272880
- CAS
- 108912-12-5
- PubChem CID
- 13773533
- SMILES
- CC(C#N)C1=CC=C(C=C1)C2=CSC=C2
- Molecular Formula
- C13H11NS
- Molecular Weight
- 213.305
- Exact Mass
- 213.0612
- InChI
- InChI=1S/C13H11NS/c1-10(8-14)11-2-4-12(5-3-11)13-6-7-15-9-13/h2-7,9-10H,1H3
- InChIKey
- GWWRKFKRZRCUMY-UHFFFAOYSA-N
- LogP
- 4.0422
- TPSA
- 23.79
Names and synonyms
- DTXSID201272880
- 2-[4-(Thiophen-3-yl)phenyl]propanenitrile
- alpha-Methyl-4-(3-thienyl)benzeneacetonitrile
- I+/--Methyl-4-(3-thienyl)benzeneacetonitrile
- 108912-12-5