743452-34-8
([5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
Name([5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
FormulaC17 H13 Cl2 N3 O2 S
1Identification
【Name】
([5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD05263758
【English Synonyms】
【Formula】
C17 H13 Cl2 N3 O2 S
【MolWeight】
394.281
【Inchi】
InChI=1S/C17H13Cl2N3O2S/c1-10-4-2-3-5-14(10)22-16(12-7-6-11(18)8-13(12)19)20-21-17(22)25-9-15(23)24/h2-8H,9H2,1H3,(H,23,24)
【InChIKey】
InChIKey=JMWQOUALXHSUTM-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1n2c(nnc2SCC(=O)O)c3ccc(cc3Cl)Cl
【MOL File】
([5-(2,4-DICHLOROPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID.cml