6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
Basic information
- CAS
58955-85-4- Standard SMILES
CC1OCN=C(c2ccccc2)S1- InChIKey
MXBIMNXDAMOVRF-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Names & identifiers
- Preferred name
- 6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
- IUPAC
- 2-methyl-4-phenyl-6H-1,3,5-oxathiazine
Names & synonyms
58955-85-46H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-RefChem:10741612-methyl-4-phenyl-2,6-dihydro-1,3,5-oxathiazine2-Methyl-4-phenyl-6H-1,3,5-oxathiazineDIRI 25384-Phenyl-2-methyl-6H-1,3,5-oxathiazineSCHEMBL11738427DTXSID80974452ICA95585AKOS0339789852-Methyl-4-phenyl-2H,6H-1,3,5-oxathiazine
Show more names
EN300-313817Z1255387324
Database identifiers
- CAS
58955-85-4- PubChem CID
- 3042018
- DTXSID
DTXSID80974452
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 199
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Compound notes
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