4-Mercaptopyridine - CAS 4556-23-4

Catalog:	BB025928
Product Name:	4-Mercaptopyridine
CAS:	4556-23-4
Synonyms:	1H-pyridine-4-thione

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Computed Properties

IUPAC Name:	1H-pyridine-4-thione
Description:	A pyridine derivative used as a redox reagents for the in vitro refolding of a recombinantly expressed single-chain Fv fragment (scFvOx). Used in studies along with thiosulfate to measure alliinase activity.
Molecular Weight:	111.16
Molecular Formula:	C5H5NS
Canonical SMILES:	C1=CNC=CC1=S
InChI:	InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChI Key:	FHTDDANQIMVWKZ-UHFFFAOYSA-N
Boiling Point:	176.5 ℃ at 760 mmHg
Purity:	98 %
Density:	1.2 g/cm³
Appearance:	Brown solid
MDL:	MFCD00006422
LogP:	1.37030

Publication Number	Title	Priority Date
WO-2015184383-A1	Aryl-substituted imidazoles and methods of making and using same	20140529
WO-2015181550-A1	Gold (i)-phosphine compounds as anti-bacterial agents	20140528
WO-2015172196-A1	Heterocyclic compounds and use of same	20140513
US-2015322587-A1	Super conformal plating	20140509
US-2015325477-A1	Super conformal metal plating from complexed electrolytes	20140509

PMID	Publication Date	Title	Journal
22588225	20121028	Controlling the rate of electron transfer between a quantum dot and a tri-ruthenium molecular cluster by tuning the chemistry of the interface	Physical chemistry chemical physics : PCCP
22994240	20121016	Dynamic surface enhanced Raman spectroscopy (SERS): extracting SERS from normal Raman scattering	Analytical chemistry
22898563	20121007	A simple and highly efficient route to the synthesis of NaLnF4-Ag hybrid nanorice with excellent SERS performances	The Analyst
22967639	20120915	A stable and reproducible nanosilver-aggregation-4-mercaptopyridine surface-enhanced Raman scattering probe for rapid determination of trace Hg2+	Talanta
22809216	20120814	One-step vs stepwise immobilization of 1-D coordination-based Rh-Rh molecular wires on gold surfaces	Langmuir : the ACS journal of surfaces and colloids

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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:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.01427034
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.01427034
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7