3-Bromo-6-phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
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Basic information
- Standard SMILES
Brc1csc2c1-c1[nH]nc(-c3ccccc3)c1C2- InChIKey
PLKOGQAVIIGHGM-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2S
- Average molar mass
- 317.21 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-6-phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 11-bromo-5-phenyl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
Names & synonyms
SCHEMBL15312250PLKOGQAVIIGHGM-UHFFFAOYSA-N3-Bromo-6-phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 89846397
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
1 records
Compound notes
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