515130-03-7
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-METHYL-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-METHYL-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
1Identification
【Name】
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-METHYL-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460300
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C7 H11 N O4 S
【pro_molWeight】
205.233
【Inchi】
InChI=1S/C7H11NO4S/c1-6(7(9)12-2)8-4-3-5-13(8,10)11/h3,5-6H,4H2,1-2H3/t6-/m0/s1
【InChIKey】
InChIKey=XEHGECHCFAZGQM-LURJTMIESA-N
【SMILES】
C[C@@H](C(=O)OC)N1CC=CS1(=O)=O
【MOL File】
2(3H)-ISOTHIAZOLEACE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA-METHYL-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml