CID 45077594
Basic information
- CAS
36727-08-9- Standard SMILES
N/C(S)=c1/nc2c(s1)=CC(=O)C=C2- InChIKey
OLCVIUOCFKVZMV-BQYQJAHWSA-N- Molecular formula
- C8H6N2OS2
- Average molar mass
- 210.3 g/mol
Names & identifiers
- Preferred name
- CID 45077594
- IUPAC
- (2E)-2-[amino(sulfanyl)methylidene]-1,3-benzothiazol-6-one
- English name
- 2-Benzothiazolecarbothioamide,6-hydroxy-(9CI)
- Molecular formula
- C8H6N2OS2
- Molecular weight
- 210.27604
Names & synonyms
2-Benzothiazolecarbothioamide,6-hydroxy-(9CI)
Database identifiers
- CAS
36727-08-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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