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720667-75-4 | 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CAS No: 720667-75-4 Catalog No: AG01FGDY MDL No:
Product Description
Catalog Number:
AG01FGDY
Chemical Name:
5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
720667-75-4
IUPAC Name:
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H9ClFN3S/c15-10-3-1-2-9(8-10)13-17-18-14(20)19(13)12-6-4-11(16)5-7-12/h1-8H,(H,18,20)
InChI Key:
LUYNRRWMVKSISV-UHFFFAOYSA-N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.755g/mol
Monoisotopic Mass:
305.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of thiosemicarbazides, s-triazoles and their Mannich bases bearing 3-chlorophenyl moiety. | European journal of medicinal chemistry 20110101 |
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