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26028-88-6 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-hydroxyphenyl)-4-phenyl-
CAS No: 26028-88-6 Catalog No: AG002RF7 MDL No:MFCD00955238
Product Description
Catalog Number:
AG002RF7
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-hydroxyphenyl)-4-phenyl-
CAS Number:
26028-88-6
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD00955238
IUPAC Name:
3-(4-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H11N3OS/c18-12-8-6-10(7-9-12)13-15-16-14(19)17(13)11-4-2-1-3-5-11/h1-9,18H,(H,16,19)
InChI Key:
JGQHFMIKRTUVNL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1n[nH]c(=S)n1c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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