923713-39-7
([4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
Name([4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
FormulaC11 H10 Cl N3 O2 S
1Identification
【Name】
([4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD08691291
【English Synonyms】
【Formula】
C11 H10 Cl N3 O2 S
【MolWeight】
283.738
【Inchi】
InChI=1S/C11H10ClN3O2S/c1-7-2-3-8(4-9(7)12)15-6-13-14-11(15)18-5-10(16)17/h2-4,6H,5H2,1H3,(H,16,17)
【InChIKey】
InChIKey=POFFTFMCPKCDSQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)n2cnnc2SCC(=O)O
【MOL File】
([4-(3-CHLORO-4-METH….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
([4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID.cml