1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
Basic information
- CAS
65838-74-6- Standard SMILES
CC(C)N1C(=O)c2ccccc2S1(Cl)c1ccccc1- InChIKey
XOULPJLOLPILQW-UHFFFAOYSA-N- Molecular formula
- C16H16ClNOS
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.064113
Names & identifiers
- Preferred name
- 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
- IUPAC
- 1-chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
- English name
- 9-chloro-9-phenyl-8-propan-2-yl-9$l^{4}-thia-8-azabicyclo[4.3.0]nona-1 ,3,5-trien-7-one
- Molecular formula
- C16H16ClNOS
- Molecular weight
- 305.82
Names & synonyms
65838-74-61-chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-oneNSC361397DTXSID60320554NSC-3613971-Chloro-1-phenyl-2-(propan-2-yl)-1,2-dihydro-3H-1lambda~4~,2-benzothiazol-3-one1,2-Benzisothiazol-3(2H)-one, 1-chloro-1,1-dihydro-2-(1-methylethyl)-1-phenyl- (9CI)9-chloro-9-phenyl-8-propan-2-yl-9$l^{4}-thia-8-azabicyclo[4.3.0]nona-1 ,3,5-trien-7-one
Database identifiers
- CAS
65838-74-6- PubChem CID
- 338477
- DTXSID
DTXSID60320554
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Comptox DTXSID
- 60320554 · DTXSID60320554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…