Basic information
- CAS
27655-31-8- Standard SMILES
COC(=O)c1sc2ccccc2[n+]1[O-]- InChIKey
RMVGZIVRUJTOAG-UHFFFAOYSA-N- Molecular formula
- C9H7NO3S
- Average molar mass
- 209.22 g/mol
Names & identifiers
- Preferred name
- CID 130836075
- IUPAC
- methyl 3-oxido-1,3-benzothiazol-3-ium-2-carboxylate
- English name
- 2-Benzothiazolecarboxylicacid,methylester,3-oxide(8CI)
- Molecular formula
- C9H7NO3S
- Molecular weight
- 209.22
Names & synonyms
2-Benzothiazolecarboxylic acid, methyl ester, 3-oxide2-Benzothiazolecarboxylicacid,methylester,3-oxide(8CI)
Database identifiers
- CAS
27655-31-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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