Basic information
- CAS
214630-11-2- Standard SMILES
N#CC1=CNc2sccc2S1(=O)=O- InChIKey
DOFCSXFEAZQTQH-UHFFFAOYSA-N- Molecular formula
- C7H4N2O2S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 211.97141972
Names & identifiers
- Preferred name
- 1,1-dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile
- IUPAC
- 1,1-dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile
Names & synonyms
NSC6938041,1-dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrileCHEMBL19675174H-Thieno[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxideDTXSID001196672NSC-693804214630-11-2NCI60_0335704H-Thieno[3,2-b]-1,4-thiazine-2-carbonitrile, 1,1-dioxide1,1-Dioxo-1,4-dihydro-1lambda~6~-thieno[3,2-b][1,4]thiazine-2-carbonitrile
Database identifiers
- CAS
214630-11-2- PubChem CID
- 392827
- DTXSID
DTXSID001196672- ChEMBL
CHEMBL1967517
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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