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141212-52-4 | 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-[4-(phenylsulfonyl)phenyl]-
CAS No: 141212-52-4 Catalog No: AG001G2W MDL No:
Product Description
Catalog Number:
AG001G2W
Chemical Name:
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-[4-(phenylsulfonyl)phenyl]-
CAS Number:
141212-52-4
Molecular Formula:
C14H11N3O2S2
Molecular Weight:
317.3860
IUPAC Name:
5-[4-(benzenesulfonyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C14H11N3O2S2/c18-21(19,11-4-2-1-3-5-11)12-8-6-10(7-9-12)13-15-14(20)17-16-13/h1-9H,(H2,15,16,17,20)
InChI Key:
KQKLKSFMOKHIPH-UHFFFAOYSA-N
SMILES:
S=c1[nH][nH]c(n1)c1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.381g/mol
Monoisotopic Mass:
317.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization and evaluation of antibacterial activity of some thiazolo[3,2-b][1,2,4]triazole incorporating diphenylsulfone moieties. | European journal of medicinal chemistry 20091101 |
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