Basic information
- CAS
706-67-2- Standard SMILES
Cc1sc2ccccc2[n+]1C.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
FLSYUUDKLRRXAO-UHFFFAOYSA-M- Molecular formula
- C9H10ClNO4S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0019067
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,3-benzothiazol-3-ium perchlorate
- IUPAC
- 2,3-dimethyl-1,3-benzothiazol-3-ium perchlorate
Names & synonyms
2,3-Dimethyl-1,3-benzothiazol-3-ium perchlorate706-67-22,3-dimethyl-1,3-benzothiazol-3-ium;perchlorateSCHEMBL11816261DTXSID20494922MFCD00524732AKOS001016931Z56791945
Database identifiers
- CAS
706-67-2- PubChem CID
- 12372763
- DTXSID
DTXSID20494922
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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