540775-20-0
((4-((4-HYDROXYBENZYLIDENE)AMINO)-5-ME-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
Name((4-((4-HYDROXYBENZYLIDENE)AMINO)-5-ME-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
1Identification
【Name】
((4-((4-HYDROXYBENZYLIDENE)AMINO)-5-ME-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
【CAS】
【MDL】
MFCD05154927
【English Synonyms】
【Formula】
C12 H12 N4 O3 S
【MolWeight】
292.318
【Inchi】
InChI=1S/C12H12N4O3S/c1-8-14-15-12(20-7-11(18)19)16(8)13-6-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,18,19)/b13-6+
【InChIKey】
InChIKey=MCFAKNDERAPPTQ-AWNIVKPZSA-N
【SMILES】
Cc1nnc(n1/N=C/c2ccc(cc2)O)SCC(=O)O
【MOL File】
((4-((4-HYDROXYBENZY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((4-((4-HYDROXYBENZYLIDENE)AMINO)-5-ME-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID.cml