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1477-24-3 | 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)-
CAS No: 1477-24-3 Catalog No: AG001F46 MDL No:MFCD00468122
Product Description
Catalog Number:
AG001F46
Chemical Name:
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)-
CAS Number:
1477-24-3
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
MDL Number:
MFCD00468122
IUPAC Name:
5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)
InChI Key:
PBTAXYKMCKLQSM-UHFFFAOYSA-N
SMILES:
S=c1[nH][nH]c(n1)c1ccncc1
NSC Number:
151062
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| The unusual thermochromic NIR luminescence of Cu(I) clusters: tuned by Cu-Cu interactions and packing modes. | Dalton transactions (Cambridge, England : 2003) 20120821 |
| N-heterocyclic dicarboxylic acids: broad-spectrum inhibitors of metallo-β-lactamases with co-antibacterial effect against antibiotic-resistant bacteria. | Bioorganic & medicinal chemistry letters 20120815 |
| Controllable preparation of Zn(II) coordination polymers: unusual solvothermal formation of a LiGe-type framework directed by in situ S-S coupling of 5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol. | Chemical communications (Cambridge, England) 20080321 |
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