35510-91-9
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
FormulaC17 H13 F3 N2 O4 S
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17015494
【English Synonyms】
【Formula】
C17 H13 F3 N2 O4 S
【MolWeight】
398.36
【Inchi】
InChI=1S/C17H13F3N2O4S/c1-22-14(15(23)12-4-2-3-5-13(12)27(22,25)26)16(24)21-11-8-6-10(7-9-11)17(18,19)20/h2-9,23H,1H3,(H,21,24)
【InChIKey】
InChIKey=RCMGDORAXFTWLC-UHFFFAOYSA-N
【SMILES】
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccc(cc3)C(F)(F)F
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE.cml