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

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Computed Properties

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 °C(lit.)
Purity:	95 %
Appearance:	Solid
MDL:	MFCD00468122
LogP:	1.15540

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)

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Related Functional Groups

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

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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

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