521964-54-5
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE (ALPHAS)
Name
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE (ALPHAS)
pro_formula
C13 H15 N O4 S
pro_molWeight
281.331
1Identification
【Name】
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE (ALPHAS)
【CAS】
【MDL】
MFCD08460302
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H15 N O4 S
【pro_molWeight】
281.331
【Inchi】
InChI=1S/C13H15NO4S/c1-18-13(15)12(10-11-6-3-2-4-7-11)14-8-5-9-19(14,16)17/h2-7,9,12H,8,10H2,1H3/t12-/m0/s1
【InChIKey】
InChIKey=PHFYCQRMOBBCGB-LBPRGKRZSA-N
【SMILES】
COC(=O)[C@H](Cc1ccccc1)N2CC=CS2(=O)=O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2(3H)-ISOTHIAZOLEACETIC ACID, ALPHA(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE (ALPHAS).cml
quick_release
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