515130-13-9
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL] METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL] METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
pro_formulaC17 H23 N O5 S
1Identification
【Name】
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL] METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460306
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H23 N O5 S
【pro_molWeight】
353.437
【Inchi】
InChI=1S/C17H23NO5S/c1-17(2,3)23-14-8-6-13(7-9-14)12-15(16(19)22-4)18-10-5-11-24(18,20)21/h5-9,11,15H,10,12H2,1-4H3/t15-/m0/s1
【InChIKey】
InChIKey=HNNGQVQIXOEUJT-HNNXBMFYSA-N
【SMILES】
CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)OC)N2CC=CS2(=O)=O
【MOL File】
2(3H)-ISOTHIAZOLEACE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL] METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml