3-Benzyl-6-chloro-1,3-benzothiazol-2(3H)-one
Basic information
- CAS
827024-59-9- Standard SMILES
O=c1sc2cc(Cl)ccc2n1Cc1ccccc1- InChIKey
UEWLACVAYXDVAH-UHFFFAOYSA-N- Molecular formula
- C14H10ClNOS
- Average molar mass
- 275.8 g/mol
- Monoisotopic mass
- 275.0171628
Names & identifiers
- Preferred name
- 3-Benzyl-6-chloro-1,3-benzothiazol-2(3H)-one
- IUPAC
- 3-benzyl-6-chloro-1,3-benzothiazol-2-one
Names & synonyms
827024-59-93-Benzyl-6-chloro-1,3-benzothiazol-2(3H)-oneDTXSID40837155
Database identifiers
- CAS
827024-59-9- PubChem CID
- 71417825
- DTXSID
DTXSID40837155
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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