N-(2-Hydroxypropyl)-1,2-benzisothiazolin-3-One
Basic information
- CAS
4299-13-2- Standard SMILES
CC(O)Cn1sc2ccccc2c1=O- InChIKey
OWMVXGJDXAJUNR-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.05104977
Names & identifiers
- Preferred name
- N-(2-Hydroxypropyl)-1,2-benzisothiazolin-3-One
- IUPAC
- 2-(2-hydroxypropyl)-1,2-benzothiazol-3-one
Names & synonyms
4299-13-2N-(2-Hydroxypropyl)-1,2-benzisothiazolin-3-One2-(2-hydroxypropyl)-1,2-benzothiazol-3-oneCHEMBL48962SCHEMBL11130291DTXSID009628362-(2-Hydroxypropyl)-1,2-benzothiazol-3(2H)-one
Database identifiers
- CAS
4299-13-2- PubChem CID
- 457528
- DTXSID
DTXSID00962836- ChEMBL
CHEMBL48962- Nikkaji
- J777.830I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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