133506-49-7
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ETHYL ESTER
Name(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ETHYL ESTER
1Identification
【Name】
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ETHYL ESTER
【CAS】
【MDL】
MFCD01740383
【English Synonyms】
【Formula】
C22 H18 N4 O2 S
【MolWeight】
402.476
【Inchi】
InChI=1S/C22H18N4O2S/c27-21(19-13-11-18(12-14-19)17-7-3-1-4-8-17)28-15-16-29-22-23-24-25-26(22)20-9-5-2-6-10-20/h1-14H,15-16H2
【InChIKey】
InChIKey=JHJOAMRKEOTZER-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)C(=O)OCCSc3nnnn3c4ccccc4
【MOL File】
(1,1'-BIPHENYL)-4-CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ETHYL ESTER.cml