6H-1,3,5-Oxathiazine, 4-phenyl-
Basic information
- CAS
58955-84-3- Standard SMILES
c1ccc(C2=NCOCS2)cc1- InChIKey
MRTPGSSIOAIVED-UHFFFAOYSA-N- Molecular formula
- C9H9NOS
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.04048508
Names & identifiers
- Preferred name
- 6H-1,3,5-Oxathiazine, 4-phenyl-
- IUPAC
- 4-phenyl-6H-1,3,5-oxathiazine
Names & synonyms
4-Phenyl-6H-1,3,5-oxathiazine58955-84-3DIRI 24346H-1,3,5-Oxathiazine, 4-phenyl-DTXSID20207695RefChem:309500DTXCID701301864-phenyl-2,6-dihydro-1,3,5-oxathiazineSCHEMBL11741254AKOS0339789864-Phenyl-2H,6H-1,3,5-oxathiazineEN300-315763
Show more names
Z1255395653
Database identifiers
- CAS
58955-84-3- PubChem CID
- 204089
- DTXSID
DTXSID20207695
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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