731827-00-2
([5-(4-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
Name([5-(4-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
1Identification
【Name】
([5-(4-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD04036391
【English Synonyms】
【Formula】
C16 H12 F N3 O2 S
【MolWeight】
329.354
【Inchi】
InChI=1S/C16H12FN3O2S/c17-12-8-6-11(7-9-12)15-18-19-16(23-10-14(21)22)20(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)
【InChIKey】
InChIKey=IDFOHMGTLKLWGA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnc2SCC(=O)O)c3ccc(cc3)F
【MOL File】
([5-(4-FLUOROPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([5-(4-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID.cml