796067-59-9
(5-METHYL-4-P-TOLYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Name(5-METHYL-4-P-TOLYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
1Identification
【Name】
(5-METHYL-4-P-TOLYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD06370786
【English Synonyms】
【Formula】
C12 H13 N3 O2 S
【MolWeight】
263.32
【Inchi】
InChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)15-9(2)13-14-12(15)18-7-11(16)17/h3-6H,7H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=VGYSKBOFFYSREU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2SCC(=O)O)C
【MOL File】
(5-METHYL-4-P-TOLYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-METHYL-4-P-TOLYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID.cml