Basic information
- Standard SMILES
c1ccc(-c2n[nH]c3c2Cc2sccc2-3)cc1- InChIKey
ICBKWYBIJVBIQU-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.0564695
Names & identifiers
- Preferred name
- 6-Phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 5-phenyl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
Names & synonyms
SCHEMBL15311817ICBKWYBIJVBIQU-UHFFFAOYSA-N6-Phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 71815879
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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