38402-26-5
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(2,4,5-TRICHLOROPHENYL)-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(2,4,5-TRICHLOROPHENYL)-, 1,1-DIOXIDE
FormulaC16 H11 Cl3 N2 O4 S
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(2,4,5-TRICHLOROPHENYL)-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17015527
【English Synonyms】
【Formula】
C16 H11 Cl3 N2 O4 S
【MolWeight】
433.698
【Inchi】
InChI=1S/C16H11Cl3N2O4S/c1-21-14(15(22)8-4-2-3-5-13(8)26(21,24)25)16(23)20-12-7-10(18)9(17)6-11(12)19/h2-7,22H,1H3,(H,20,23)
【InChIKey】
InChIKey=LFDOVHRBNDRIEP-UHFFFAOYSA-N
【SMILES】
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
【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-(2,4,5-TRICHLOROPHENYL)-, 1,1-DIOXIDE.cml