Basic information
- CAS
723-57-9- Standard SMILES
CC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1- InChIKey
YLOIUIYEPKSXIK-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O2S
- Average molar mass
- 264.23 g/mol
- Monoisotopic mass
- 264.01803313
Names & identifiers
- Preferred name
- 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
- IUPAC
- 3-methyl-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
Names & synonyms
723-57-94H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide1,1-Dioxo-3-methyl-6-trifluoromethyl-4H-1,2,4-benzothiadiazineDTXSID60222625RefChem:296902DTXCID90145116SCHEMBL721406SCHEMBL10522041YLOIUIYEPKSXIK-UHFFFAOYSA-N3-Methyl-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Database identifiers
- CAS
723-57-9- PubChem CID
- 69760
- DTXSID
DTXSID60222625
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
LogP1.59
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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