3-Methylbenzo[d]isothiazol-6-ol
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Basic information
- Standard SMILES
Cc1nsc2cc(O)ccc12- InChIKey
KBLMBIVTWRLMDJ-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
Names & identifiers
- Preferred name
- 3-Methylbenzo[d]isothiazol-6-ol
- IUPAC
- 3-methyl-1,2-benzothiazol-6-ol
Names & synonyms
192443-26-83-Methylbenzo[d]isothiazol-6-ol3-methyl-1,2-benzothiazol-6-olSCHEMBL5035435KBLMBIVTWRLMDJ-UHFFFAOYSA-N3-Methyl-benzo[d]isothiazol-6-ol
Database identifiers
- PubChem CID
- 135742003
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Related reactions
6 records
Compound notes
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