951921-94-1
2-([(3,4-DIMETHOXYPHENYL)SULFONYL]AMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
Name2-([(3,4-DIMETHOXYPHENYL)SULFONYL]AMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2-([(3,4-DIMETHOXYPHENYL)SULFONYL]AMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09905008
【English Synonyms】
【Formula】
C13 H14 N2 O6 S2
【MolWeight】
358.394
【Inchi】
InChI=1S/C13H14N2O6S2/c1-7-11(12(16)17)22-13(14-7)15-23(18,19)8-4-5-9(20-2)10(6-8)21-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=ISACSDDKCVULFV-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccc(c(c2)OC)OC)C(=O)O
【MOL File】
2-([(3,4-DIMETHOXYPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([(3,4-DIMETHOXYPHENYL)SULFONYL]AMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID.cml