Basic information
- CAS
97189-44-1- Standard SMILES
O=c1nc(Cc2ccccc2)sc2ccccc12.[O-][Cl+3]([O-])([O-])O- InChIKey
TVMFZTOEOOVGAP-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO5S
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.0124714
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-benzothiazin-4-one;perchloric acid
- IUPAC
- 2-benzyl-1,3-benzothiazin-4-one;perchloric acid
Names & synonyms
97189-44-1DTXSID40540773Perchloric acid--2-benzyl-4H-1,3-benzothiazin-4-one (1/1)
Database identifiers
- CAS
97189-44-1- PubChem CID
- 13436331
- DTXSID
DTXSID40540773
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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