6-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
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Basic information
- CAS
720-49-0- Standard SMILES
O=S1(=O)NCNc2cc(C(F)(F)F)ccc21- InChIKey
DPJZVOYJEZTZKG-UHFFFAOYSA-N- Molecular formula
- C8H7F3N2O2S
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.01803313
Names & identifiers
- Preferred name
- 6-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
- IUPAC
- 6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
- English name
- 4-(trifluoromethyl)-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,11-t riene 10,10-dioxide
- Molecular formula
- C8H7F3N2O2S
- Molecular weight
- 252.2135896
Names & synonyms
720-49-06-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide93UA39DH6SNSC 47989NSC-47989DTXSID602222813,4-DIHYDRO-6-TRIFLUOROMETHYL-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE2H-1,2,4-BENZOTHIADIAZINE, 3,4-DIHYDRO-6-(TRIFLUOROMETHYL)-, 1,1-DIOXIDERefChem:104125DTXCID60144772NSC47989UNII-93UA39DH6S
Show more names
4-(trifluoromethyl)-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,11-t riene 10,10-dioxide
6-Trifluoromethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxideNSC527618NSC-5276186-(Trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
Database identifiers
- CAS
720-49-0- PubChem CID
- 240979
- DTXSID
DTXSID60222281- UNII
- 93UA39DH6S
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- FDA UNII
- 93 UA39DH6S · 93UA39DH6S
Related reactions
0 records
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Compound notes
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