Basic information
- Standard SMILES
CC[n+]1c(N)sc2cc(OC)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
QXEGSOIVVZAQIL-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4S2
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-ethyl-6-methoxybenzothiazolium p-toluenesulfonate
- IUPAC
- 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine;4-methylbenzenesulfonate
Names & synonyms
SCHEMBL8863089QXEGSOIVVZAQIL-UHFFFAOYSA-N2-amino-3-ethyl-6-methoxybenzothiazolium p-toluenesulfonate
Database identifiers
- PubChem CID
- 19962202
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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