Basic information
- CAS
7612-95-5- Standard SMILES
S=C=Nc1ccccc1C=Cc1ccccc1- InChIKey
NVZXSCLSEHKSAX-UHFFFAOYSA-N- Molecular formula
- C15H11NS
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.06122053
Names & identifiers
- Preferred name
- 1-Isothiocyanato-2-(2-phenylethenyl)benzene
- IUPAC
- 1-isothiocyanato-2-(2-phenylethenyl)benzene
Names & synonyms
1-isothiocyanato-2-(2-phenylethenyl)benzene7612-95-5RefChem:231191isothiocyanatostilbeneSCHEMBL3209348DTXSID701262741
Database identifiers
- CAS
7612-95-5- PubChem CID
- 283156
- DTXSID
DTXSID701262741
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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