515130-11-7
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[(1,1-DIMETHYLETHOXY)METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[(1,1-DIMETHYLETHOXY)METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
pro_formulaC11 H19 N O5 S
1Identification
【Name】
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[(1,1-DIMETHYLETHOXY)METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460304
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H19 N O5 S
【pro_molWeight】
277.339
【Inchi】
InChI=1S/C11H19NO5S/c1-11(2,3)17-8-9(10(13)16-4)12-6-5-7-18(12,14)15/h5,7,9H,6,8H2,1-4H3/t9-/m0/s1
【InChIKey】
InChIKey=LCEJEEYXEFKCCZ-VIFPVBQESA-N
【SMILES】
CC(C)(C)OC[C@@H](C(=O)OC)N1CC=CS1(=O)=O
【MOL File】
2(3H)-ISOTHIAZOLEACE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-[(1,1-DIMETHYLETHOXY)METHYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml