6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-
Basic information
- CAS
58955-81-0- Standard SMILES
Clc1ccc(C2=NCOCS2)cc1- InChIKey
AFHWEGXDWKSXKJ-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0015127
Names & identifiers
- Preferred name
- 6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-
- IUPAC
- 4-(4-chlorophenyl)-6H-1,3,5-oxathiazine
Names & synonyms
4-(4-Chlorophenyl)-6H-1,3,5-oxathiazine58955-81-0DIRI 26356H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-DTXSID00207693RefChem:309498DTXCID50130184SCHEMBL11739524AKOS0305474074-(4-Chlorophenyl)-2H,6H-1,3,5-oxathiazineZ1269240065
Database identifiers
- CAS
58955-81-0- PubChem CID
- 204086
- DTXSID
DTXSID00207693
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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