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2-Mercaptopyrazine

CAS No.:
38521-06-1
Catalog Number:
AG003HIF
Molecular Formula:
C4H4N2S
Molecular Weight:
112.1530
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Product Description
Catalog Number:
AG003HIF
Chemical Name:
2-Mercaptopyrazine
CAS Number:
38521-06-1
Molecular Formula:
C4H4N2S
Molecular Weight:
112.1530
MDL Number:
MFCD00235012
IUPAC Name:
1H-pyrazine-2-thione
InChI:
InChI=1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChI Key:
HKAVADYDPYUPRD-UHFFFAOYSA-N
SMILES:
Sc1cnccn1
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.01g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.15g/mol
Monoisotopic Mass:
112.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
A fungal nonribosomal peptide synthetase module that can synthesize thiopyrazines. Organic letters 20110401
1-[2-(Pyrazin-2-ylsulfan-yl)eth-yl]pyrazine-2(1H)-thione. Acta crystallographica. Section E, Structure reports online 20110201
Piperazine-2,3,5,6-tetra-one. Acta crystallographica. Section E, Structure reports online 20101201
Tetra-aqua-bis-[4-(pyrazin-2-ylsulfanylmethyl-κN)benzoato]cobalt(II). Acta crystallographica. Section E, Structure reports online 20101001
Inhibition of lipopolysaccharide-induced inducible nitric oxide synthase expression by a novel compound, mercaptopyrazine, through suppression of nuclear factor-kappaB binding to DNA. Biochemical pharmacology 20040815
Synthesis of 2-(allylthio)pyrazines as a novel cancer chemopreventive agent. Archives of pharmacal research 20010201
Properties