Basic information
- Standard SMILES
COc1cccc2sncc12- InChIKey
WILUPWLPVVSGHY-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483502
Names & identifiers
- Preferred name
- 4-Methoxybenzo[d]isothiazole
- IUPAC
- 4-methoxy-1,2-benzothiazole
Names & synonyms
4-Methoxybenzo[d]isothiazole35272-30-14-methoxy-1,2-benzothiazole4-methoxy-1,2-benzisothiazole4methoxy-benzo[d]isothiazole4-methoxy-benzo[d]isothiazoleSCHEMBL2917134-methoxy-1,2-benzoisothiazoleWILUPWLPVVSGHY-UHFFFAOYSA-NKBA27230WS-01082D86294
Show more names
EN300-160588F841730Z1617986360
Database identifiers
- PubChem CID
- 19384352
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
10 records
Compound notes
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