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28456-54-4

28456-54-4 Structure

28456-54-4 Structure
IdentificationBack Directory
[Name]

5,6-DIMETHYL-2-THIOURACIL
[CAS]

28456-54-4
[Synonyms]

DMTU
Nsc 60687
Brn 0118811
5,6-Dimethylthiouracil
5,6-DIMETHYL-2-THIOURACIL
5,6-dimethyl-2-thio-uraci
Uracil, 5,6-dimethyl-2-thio-
5,6-diMethyl-2-sulfanylpyriMidin-4-ol
2-mercapto-5,6-dimethylpyrimidin-4-ol
2-Mercapto-5,6-dimethylpyrimidine-4-ol
4-pyrimidinol, 2-mercapto-5,6-dimethyl-
5,6-Dimethyl-4-hydroxy-2-thiopyrimidine
5,6-dimethyl-2-thioxo-1H-pyrimidin-4-one
2-Mercapto-5,6-dimethylpyrimidin-4(3H)-one
5,6-Dimethyl-4-hydroxy-2-thiopyrimidine 95%
5,6-Dimethyl-2(1H)-thioxopyrimidine-4(3H)-one
5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
5,6-Dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)
4(1H)-Pyrimidinone, 2,3-dihydro-5,6-dimethyl-2-thioxo-
5,6-Dimethyl-2-sulphanylpyrimidin-4-ol, 5,6-Dimethyl-4-hydroxy-2-mercapto-1,3-diazine
[Molecular Formula]

C6H8N2OS
[MDL Number]

MFCD00278872
[MOL File]

28456-54-4.mol
[Molecular Weight]

156.21
Chemical PropertiesBack Directory
[Melting point ]

284-288 °C(lit.)
[density ]

1.2069 (rough estimate)
[refractive index ]

1.6490 (estimate)
[storage temp. ]

-20°C Freezer
[solubility ]

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

neat
[pka]

7.88±0.25(Predicted)
[color ]

White to Pale Yellow
[Water Solubility ]

1.373g/L(25 ºC)
[InChI]

1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
[InChIKey]

MEAKRQUSGACTFV-UHFFFAOYSA-N
[SMILES]

CC1=C(C)C(=O)NC(=S)N1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

YQ9887000
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones. It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.
[Uses]

5,6-Dimethylthiouracil is a heterocyclic building block.
[References]

[1] NAVROTSKII M B. Synthesis and Anti-HIV-1 Activity of New 2-[(2-Phthalimidoethyl)thio]-4(3H)-pyrimidinone Derivatives[J]. Pharmaceutical Chemistry Journal, 2005, 29 1: 466-467. DOI: 10.1007/s11094-006-0002-1
[2] SCHMIDT K S. In-house validation and factorial effect analysis of a liquid chromatography–tandem mass spectrometry method for the determination of thyreostats in bovine blood plasma[J]. Analytical and Bioanalytical Chemistry, 2013, 406 3: 735-743. DOI: 10.1007/s00216-013-7517-6
Spectrum DetailBack Directory
[Spectrum Detail]

5,6-DIMETHYL-2-THIOURACIL(28456-54-4)1HNMR
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