7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one
Basic information
- CAS
69836-19-7- Standard SMILES
Nc1cc2nc(=O)cc3n2c(n1)SC3- InChIKey
COAFEHXNUMUMLL-UHFFFAOYSA-N- Molecular formula
- C8H6N4OS
- Average molar mass
- 206.23 g/mol
- Monoisotopic mass
- 206.026232
Names & identifiers
- Preferred name
- 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one
- IUPAC
- 10-amino-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),4,7,9-tetraen-6-one
Names & synonyms
69836-19-77-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-oneNSC336873NSC 336873NSC-336873C65HRY3M8Q7-amino-2H-1-thia-5,8,8b-triaza-acenaphthylen-4-oneDS-0016611-Thia-5,8,8b-triazaacenaphthylen-4(2H)-one, 5,7-dihydro-7-imino-10-amino-2-thia-7,11,12-triazatricyclo[6.3.1.0{4,12}]dodeca-1(11),4,7,9-tetraen-6-one
Database identifiers
- CAS
69836-19-7- PubChem CID
- 333674
- UNII
- C65HRY3M8Q
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…