3-Benzyl-6-(trichloromethyl)-1,3-benzothiazol-2(3H)-one
Basic information
- CAS
827024-60-2- Standard SMILES
O=c1sc2cc(C(Cl)(Cl)Cl)ccc2n1Cc1ccccc1- InChIKey
XTEAKUDBKQAGTC-UHFFFAOYSA-N- Molecular formula
- C15H10Cl3NOS
- Average molar mass
- 358.7 g/mol
- Monoisotopic mass
- 356.954868
Names & identifiers
- Preferred name
- 3-Benzyl-6-(trichloromethyl)-1,3-benzothiazol-2(3H)-one
- IUPAC
- 3-benzyl-6-(trichloromethyl)-1,3-benzothiazol-2-one
Names & synonyms
827024-60-23-Benzyl-6-(trichloromethyl)-1,3-benzothiazol-2(3H)-oneDTXSID80837154
Database identifiers
- CAS
827024-60-2- PubChem CID
- 71417824
- DTXSID
DTXSID80837154
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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