3-(1,3-Benzothiazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide
Basic information
- CAS
81235-20-3- Standard SMILES
O=S1(=O)N=C(Sc2nc3ccccc3s2)c2ccccc21- InChIKey
AKFMBRBVLSAADK-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2S3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 331.97479102
Names & identifiers
- Preferred name
- 3-(1,3-Benzothiazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide
- IUPAC
- 3-(1,3-benzothiazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide
Names & synonyms
NSC36834181235-20-3SCHEMBL6274228DTXSID20321042NSC-3683413-[(1,3-Benzothiazol-2-yl)sulfanyl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Database identifiers
- CAS
81235-20-3- PubChem CID
- 339929
- DTXSID
DTXSID20321042
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 543
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Compound notes
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