ChemicalBook--->CAS DataBase List--->23945-50-8

23945-50-8

23945-50-8 Structure

23945-50-8 Structure
IdentificationBack Directory
[Name]

2-THIOURACIL-5-CARBOXYLIC ACID
[CAS]

23945-50-8
[Synonyms]

5-CARBOXY-2-THIOURACIL
2-THIOURACIL-5-CARBOXYLIC ACID
5-carboxy-2-thiouracil free acid
5-CARBOXY-4-HYDROXY-2-THIOPYRIMIDINE
4-hydroxy-2-mercaptopyrimidine-5-carboxylic acid
1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylicaci
1,2,3,4-tetrahydro-4-oxo-2-thioxopyrimidine-5-carboxylic acid
1,2,3,4-Tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylic acid
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-
2-Thiouracil-5-carboxylic acid, 5-Carboxy-4-hydroxy-2-thiopyrimidine
5-Carboxy-2-thiouracil,2-Thiouracil-5-carboxylic acid, 5-Carboxy-4-hydroxy-2-thiopyrimidine
[EINECS(EC#)]

245-948-8
[Molecular Formula]

C5H4N2O3S
[MDL Number]

MFCD00038020
[MOL File]

23945-50-8.mol
[Molecular Weight]

172.16
Chemical PropertiesBack Directory
[Melting point ]

246-247 °C (decomp)
[density ]

1.74±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

1 M NaOH: 50mg/mL, clear, colorless to faintly yellow
[form ]

powder
[pka]

4.84±0.20(Predicted)
[color ]

White to off-white
[biological source]

synthetic (organic)
[InChI]

1S/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
[InChIKey]

XKHWTDCFQVKNHW-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cnc(S)nc1O
[EPA Substance Registry System]

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo- (23945-50-8)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

5-Carboxy-2-thiouracil is a possible anti-tumor agent when part of a metal complex.
Spectrum DetailBack Directory
[Spectrum Detail]

2-THIOURACIL-5-CARBOXYLIC ACID(23945-50-8)MS
2-THIOURACIL-5-CARBOXYLIC ACID(23945-50-8)1HNMR
2-THIOURACIL-5-CARBOXYLIC ACID(23945-50-8)IR1
2-THIOURACIL-5-CARBOXYLIC ACID(23945-50-8)IR2
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