951921-85-0
2-[[(4-CHLOROPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Name2-[[(4-CHLOROPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
FormulaC12 H11 Cl N2 O4 S2
1Identification
【Name】
2-[[(4-CHLOROPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
【CAS】
【MDL】
MFCD09905003
【English Synonyms】
【Formula】
C12 H11 Cl N2 O4 S2
【MolWeight】
346.814
【Inchi】
InChI=1S/C12H11ClN2O4S2/c1-7-10(11(16)17)20-12(14-7)15(2)21(18,19)9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=AKJVBDTZURDREL-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)N(C)S(=O)(=O)c2ccc(cc2)Cl)C(=O)O
【MOL File】
2-[[(4-CHLOROPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(4-CHLOROPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID.cml