81518-26-5
2,4-DIHYDRO-5-(2-HYDROXYPHENYL)-4-PHENYL-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-5-(2-HYDROXYPHENYL)-4-PHENYL-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-5-(2-HYDROXYPHENYL)-4-PHENYL-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD00099431
【English Synonyms】
【Formula】
C14 H11 N3 O S
【MolWeight】
269.327
【Inchi】
InChI=1S/C14H11N3OS/c18-12-9-5-4-8-11(12)13-15-16-14(19)17(13)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)
【InChIKey】
InChIKey=OPECQRMMGCXRAG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(n[nH]c2=S)c3ccccc3O
【MOL File】
2,4-DIHYDRO-5-(2-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-(2-HYDROXYPHENYL)-4-PHENYL-3H-1,2,4-TRIAZOLE-3-THIONE.cml