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6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one

6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one - CAS 1979-97-1

Name: 6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015306
Product Name:	6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one
CAS:	1979-97-1
Synonyms:	4-hydroxy-2-(methylthio)-5-nitro-1H-pyrimidin-6-one; 4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one
Description:	6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one (CAS# 1979-97-1) is a useful research chemical.
Molecular Weight:	203.18
Molecular Formula:	C5H5N3O4S
Canonical SMILES:	CSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O
InChI:	InChI=1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10)
InChI Key:	LMCNSMCHUYZUFF-UHFFFAOYSA-N
MDL:	MFCD02323207
LogP:	1.04110

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Related Functional Groups

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Publication Number	Title	Priority Date
WO-2020212553-A1	New pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling	20190418
CN-113329753-A	Novel pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, contaminations and dirt	20190418
US-2021290625-A1	Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling	20190418
AU-2019220404-A1	Pyrimidine derivatives for prevention and treatment of bacterial infections	20180214
WO-2019158655-A1	Pyrimidine derivatives for prevention and treatment of bacterial infections	20180214

Complexity:	329
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.00007682
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.00007682
Rotatable Bond Count:	1
Topological Polar Surface Area:	133
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7