Basic information
- CAS
10220-33-4- Standard SMILES
O=C(Sc1nc2ccccc2s1)c1ccccc1- InChIKey
QZEHITUMMSRETH-UHFFFAOYSA-N- Molecular formula
- C14H9NOS2
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.01255626
Names & identifiers
- Preferred name
- s-1,3-Benzothiazol-2-yl benzenecarbothioate
- IUPAC
- S-(1,3-benzothiazol-2-yl) benzenecarbothioate
Names & synonyms
10220-33-4s-1,3-benzothiazol-2-yl benzenecarbothioateNSC1128022-benzoylthiobenzthiazoleS-(1,3-benzothiazol-2-yl) benzenecarbothioate2-benzoylmercaptobenzothiazoleSCHEMBL9183955DTXSID90907195QZEHITUMMSRETH-UHFFFAOYSA-NNSC-112802
Database identifiers
- CAS
10220-33-4- PubChem CID
- 270394
- DTXSID
DTXSID90907195- Nikkaji
- J842.283D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
1 records
Compound notes
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