Basic information
- Standard SMILES
N#Cc1cc(C#N)c(S)c(C#N)c1- InChIKey
WPCCQPZWKCHMGT-UHFFFAOYSA-N- Molecular formula
- C9H3N3S
- Average molar mass
- 185.21 g/mol
Names & identifiers
- Preferred name
- 3,5-Dicyano-2-mercaptobenzonitrile
- IUPAC
- 2-sulfanylbenzene-1,3,5-tricarbonitrile
Names & synonyms
SCHEMBL6513538WPCCQPZWKCHMGT-UHFFFAOYSA-N3,5-dicyano-2-mercaptobenzonitrile
Database identifiers
- PubChem CID
- 14795337
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 310
Related reactions
5 records
Compound notes
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