3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
Basic information
- CAS
100937-39-1- Standard SMILES
CN1C(Cl)=NC(c2ccccc2)=NS1(=O)=O- InChIKey
SRBLFMILQYNCRR-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O2S
- Average molar mass
- 257.7 g/mol
- Monoisotopic mass
- 257.0025754
Names & identifiers
- Preferred name
- 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
- IUPAC
- 3-chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
Names & synonyms
100937-39-11,2,4,6-thiatriazine, 3-chloro-2-methyl-5-phenyl-, 1,1-dioxide3-chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxideSCHEMBL10969366DTXSID401435863-Chloro-2-methyl-5-phenyl-1lambda~6~,2,4,6-thiatriazine-1,1(2H)-dione
Database identifiers
- CAS
100937-39-1- PubChem CID
- 180935
- DTXSID
DTXSID40143586
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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