54559-45-4
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Name(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
1Identification
【Name】
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD01571879
【English Synonyms】
【Formula】
C16 H13 N3 O2 S
【MolWeight】
311.364
【Inchi】
InChI=1S/C16H13N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
【InChIKey】
InChIKey=AVUOMUDSGDOION-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)O
【MOL File】
(4,5-DIPHENYL-4H-[1,….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
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID.cml