8-Thia-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,9-diene-7-thione
Basic information
- CAS
69754-54-7- Standard SMILES
S=C1SC2=NCCN2C2=NCCN12- InChIKey
ZWNDTKNJNLKCIA-UHFFFAOYSA-N- Molecular formula
- C7H8N4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01903862
Names & identifiers
- Preferred name
- 8-Thia-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,9-diene-7-thione
- IUPAC
- 8-thia-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,9-diene-7-thione
Names & synonyms
NSC31853769754-54-7DTXSID50317579NSC-3185372,3,8,9-Tetrahydro-5H-diimidazo[2,1-b:2',1'-d][1,3,5]thiadiazine-5-thione
Database identifiers
- CAS
69754-54-7- PubChem CID
- 330384
- DTXSID
DTXSID50317579
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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