Basic information
- CAS
64247-60-5- Standard SMILES
S=C1N=C2c3ccccc3C2C(=S)S1- InChIKey
YGOPPQFZAXLXBR-UHFFFAOYSA-N- Molecular formula
- C10H5NS3
- Average molar mass
- 235.4 g/mol
- Monoisotopic mass
- 234.95841268
Names & identifiers
- Preferred name
- 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione
- IUPAC
- 5-thia-3-azatricyclo[6.4.0.02,7]dodeca-1(12),2,8,10-tetraene-4,6-dithione
Names & synonyms
64247-60-5NSC298801DTXSID703160242H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithioneNSC-298801
Database identifiers
- CAS
64247-60-5- PubChem CID
- 326754
- DTXSID
DTXSID70316024
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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