4-(2-sulfanylidene-1H-imidazol-3-yl)benzonitrile
Basic information
- CAS
23671-39-8- Standard SMILES
N#Cc1ccc(-n2cc[nH]c2=S)cc1- InChIKey
QTPWGIDVWNVSOZ-UHFFFAOYSA-N- Molecular formula
- C10H7N3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.03606841
Names & identifiers
- Preferred name
- 4-(2-sulfanylidene-1H-imidazol-3-yl)benzonitrile
- IUPAC
- 4-(2-sulfanylidene-1H-imidazol-3-yl)benzonitrile
Names & synonyms
23671-39-8DTXSID6012136344-(2,3-Dihydro-2-thioxo-1H-imidazol-1-yl)benzonitrile4-(2-Sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)benzonitrile
Database identifiers
- CAS
23671-39-8- PubChem CID
- 29062802
- DTXSID
DTXSID601213634
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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