5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol - CAS 14910-06-6
Catalog: |
BB010372 |
Product Name: |
5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol |
CAS: |
14910-06-6 |
Synonyms: |
5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione |
IUPAC Name: | 5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol (CAS# 14910-06-6 ) is a useful research chemical. |
Molecular Weight: | 178.21 |
Molecular Formula: | C7H6N4S |
Canonical SMILES: | C1=CN=CC=C1C2=NC(=S)NN2 |
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 |
Melting Point: | 308-313 ℃(lit.) |
Purity: | 95 % |
Appearance: | Solid |
MDL: | MFCD00468122 |
LogP: | 1.15540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20180068543-A | Polishing slurry composition for tungsten layer | 20161214 |
KR-20180068544-A | Slurry composition for polishing and polishing method using the same | 20161214 |
US-2018092359-A1 | Binary compositions as disruptors of orco-mediated odorant sensing | 20150325 |
US-10791739-B2 | Binary compositions as disruptors of orco-mediated odorant sensing | 20150325 |
US-2020390099-A1 | Binary compositions as disruptors of orco-mediated odorant sensing | 20150325 |
PMID | Publication Date | Title | Journal |
22740116 | 20120821 | The unusual thermochromic NIR luminescence of Cu(I) clusters: tuned by Cu-Cu interactions and packing modes | Dalton transactions (Cambridge, England : 2003) |
22796180 | 20120815 | N-heterocyclic dicarboxylic acids: broad-spectrum inhibitors of metallo-β-lactamases with co-antibacterial effect against antibiotic-resistant bacteria | Bioorganic & medicinal chemistry letters |
18389112 | 20080321 | 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) |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03131738 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03131738 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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