Basic information
- Standard SMILES
Cc1cc(NS(=O)(=O)[O-])ccc1-c1nc2ccccc2s1.[Na+]- InChIKey
GLXJLOFFLBFAMX-UHFFFAOYSA-M- Molecular formula
- C14H11N2NaO3S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.01087885
Names & identifiers
- Preferred name
- Sodium 4-(benzothiazol-2-yl)-3-methylphenylsulphamate
- IUPAC
- sodium N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]sulfamate
Names & synonyms
SCHEMBL7105715GLXJLOFFLBFAMX-UHFFFAOYSA-MSodium 4-(benzothiazol-2-yl)-3-methylphenylsulphamate
Database identifiers
- PubChem CID
- 23717893
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
1 records
Compound notes
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