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5751-20-2

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5751-20-2 Structure

5751-20-2 Structure
IdentificationMore
[Name]

2-Methylthio-4-pyrimidinol
[CAS]

5751-20-2
[Synonyms]

2-METHYLSULFANYL-3H-PYRIMIDIN-4-ONE
2-(METHYLSULFANYL)PYRIMIDIN-4-OL
2-(Methylthio)-1H-pyrimidin-4-one
2-(METHYLTHIO)-4(1H)-PYRIMIDINONE
2-METHYLTHIO-4-HYDROXY PYRIMIDINE
2-Methylthio-4-pyrimidinol
2-METHYLTHIO-4-PYRIMIDONE
2-(METHYLTHIO)PYRIMIDIN-4(3H)-ONE
2-METHYLTHIOPYRIMIDIN-4-OL
AURORA 15138
2-(Methylsulfanyl)-4-pyrimidinol
2-Methylthiouracil
4-Hydroxy-2-methylthiopyrimidine
4-Pyrimidinol, 2-(methylthio)-
2-Methylthio-4-Pyrimidinone
2-(Methylthio)-4(1H)-pyrimidinone(MTP)
4(1H)-Pyrimidinone, 2-(methylthio)-(8CI,9CI)
2-METHYLTHIO-4-PYRIMIDONE 98.5+%
4(3H)-Pyrimidinone, 2-(methylthio)-
2-METHYLSULFANYL-4-OXOPYRIMIDINE
[EINECS(EC#)]

227-274-6
[Molecular Formula]

C5H6N2OS
[MDL Number]

MFCD00047373
[Molecular Weight]

142.18
[MOL File]

5751-20-2.mol
Chemical PropertiesBack Directory
[Melting point ]

200.0 to 204.0 °C
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

7.80±0.40(Predicted)
[color ]

White to Off-White
[Detection Methods]

HPLC
[InChI]

InChI=1S/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
[InChIKey]

UYHSQVMHSFXUOA-UHFFFAOYSA-N
[SMILES]

C1(SC)=NC=CC(=O)N1
[CAS DataBase Reference]

5751-20-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4(1H)-Pyrimidinone, 2-(methylthio)-(5751-20-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H335-H315-H318-H302
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[HS Code ]

29335990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodomethane-->2-Thiouracil-->4(1H)-Pyrimidinone, 1-methyl-2-(methylthio)--->4(1H)-Pyrimidinone, 2,3-dihydro-1,3-dimethyl-2-thioxo--->Isopropyl forMylacetate-->(E)-methyl (dimethylamino)methylenecarbamimidothioate hydroiodide-->2-Methylthio-4-MethoxypyriMidine-->tert-Butyl 3-oxopropionate-->2-(Methylthio)-3-methylpyrimidine-4(3H)-one-->Boron trifluoride methyl sulfide complex-->3-Oxo-propionic acid ethyl ester-->methyl 3-oxopropanoate
[Preparation Products]

5-Bromo-2-methoxypyrimidine-->N-(4-Aminopyrimidin-2-yl)-N-methylamine-->5-Bromo-2-(methylthio)pyrimidine-->4-Chloro-2-methylthiopyrimidine-->Pyrimidine, 4,5-dichloro-2-(methylthio)--->5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one-->2-Methylthio-4-bromopyrimidine
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A competitive inhibitor of Nitric Oxide Synthase (NOS).
[Definition]

ChEBI: 2-methylthiouracil is an aryl sulfide.
[Synthesis]

Sequentially, 800g of 2-thiouracil and 6L of water were added to a 10L reaction flask and stirred. Ice bath cooling, add sodium hydroxide 560g to the reaction bottle in batches, maintain the temperature below 40℃. After the addition, the ice bath was cool
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylthio-4-pyrimidinol(5751-20-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5751-20-2(sigmaaldrich)
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