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Home > Fluorides > 114058-91-2
114058-91-2 | 3H-1,2,4-Triazole-3-thione, 5-(4-fluorophenyl)-1,2-dihydro-
CAS No: 114058-91-2 Catalog No: AG000AGF MDL No:MFCD02952174
Product Description
Catalog Number:
AG000AGF
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(4-fluorophenyl)-1,2-dihydro-
CAS Number:
114058-91-2
Molecular Formula:
C8H6FN3S
Molecular Weight:
195.2167
MDL Number:
MFCD02952174
IUPAC Name:
5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChI Key:
YJFTVTOWNFZLSW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1[nH][nH]c(=S)n1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.215g/mol
Monoisotopic Mass:
195.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents. | Chemical biology & drug design 20170801 |
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