951921-92-9
2-[[(4-METHOXYPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Name2-[[(4-METHOXYPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
1Identification
【Name】
2-[[(4-METHOXYPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID
【CAS】
【MDL】
MFCD09905006
【English Synonyms】
【Formula】
C13 H14 N2 O5 S2
【MolWeight】
342.395
【Inchi】
InChI=1S/C13H14N2O5S2/c1-8-11(12(16)17)21-13(14-8)15(2)22(18,19)10-6-4-9(20-3)5-7-10/h4-7H,1-3H3,(H,16,17)
【InChIKey】
InChIKey=QELPDVGNGZVUMX-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)N(C)S(=O)(=O)c2ccc(cc2)OC)C(=O)O
【MOL File】
2-[[(4-METHOXYPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(4-METHOXYPHENYL)SULFONYL]METHYLAMINO]-4-METHYL-5-THIAZOLECARBOXYLIC ACID.cml