Basic information
- CAS
33353-01-4- Standard SMILES
CC(=O)C[N+]1(CC(N)=O)C(=O)Sc2ccc(Cl)cc21- InChIKey
FHHKPDQQBBEQGR-UHFFFAOYSA-O- Molecular formula
- C12H12ClN2O3S+
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0257161
Names & identifiers
- Preferred name
- 5-Chloro-3-(2-hydroxy-2-iminoethyl)-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-ium
- IUPAC
- 2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide
Names & synonyms
DTXSID709549805-Chloro-3-(2-hydroxy-2-iminoethyl)-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-iumRefChem:1072789DTXCID10138298733353-01-4BRN 1221038NTA-1905-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide3-Benzothiazolineacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-Benzothiazoleacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo-
Database identifiers
- CAS
33353-01-4- PubChem CID
- 214528
- DTXSID
DTXSID70954980
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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