2(3H)-Benzothiazolone, 4-chloro-3-ethyl-
Basic information
- CAS
63755-06-6- Standard SMILES
CCn1c(=O)sc2cccc(Cl)c21- InChIKey
LDELBJIBUBHFQV-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0015127
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-
- IUPAC
- 4-chloro-3-ethyl-1,3-benzothiazol-2-one
Names & synonyms
4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-one2(3H)-Benzothiazolone, 4-chloro-3-ethyl-63755-06-6SCHEMBL10816228SCHEMBL28229890DTXSID50350320LDELBJIBUBHFQV-UHFFFAOYSA-NHMS1583I16Cl-1702AKOS024284891ST0798914-chloro-3-ethyl-3-hydrobenzothiazol-2-one
Show more names
AB00082193-01SR-01000206333SR-01000206333-1
Database identifiers
- CAS
63755-06-6- PubChem CID
- 676574
- DTXSID
DTXSID50350320
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…