4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

Basic Information

View in Editor

CAS Number

23945-50-8

Molecular Formula

C5H4N2O3S

Molecular Weight

172.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

461.2°C at 760 mmHg

Density

1.74

Flash Point

232.7°C

Refractive Index

1.719

SMILES

View in Editor

C1=C(C(=O)NC(=S)N1)C(=O)O

InChI

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

LogP

0.13068999999999992

Topological Polar Surface Area

85.94999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

271

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-Carboxy-2-thiouracil
SCHEMBL2282306
5-Carboxy-4-hydroxy-2-thiopyrimidine
4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid #
CHEMBL5080728
2-Thiouracil-5-carboxylic acid
SB57301
AKOS015898475
H10119
DTXSID6066943
4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
2-AMINOBENZALDEHYDEHCL
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
GS-5619
4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylicacid
BDBM50580317
NS00027515
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-
4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
AKOS002391698
MFCD00038020
4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid
1,2,3,4-Tetrahydro-4-oxo-2-thioxopyrimidine-5-carboxylic acid
A912739
4-Hydroxy-2-mercaptopyrimidine-5-carboxylic Acid
CS-0045608
SCHEMBL9151319
23945-50-8
EINECS 245-948-8
W-202002

MDL Number

MFCD00038020

Customs Code

2933599090

FAQ

What is 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8)?

4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) is a pyrimidine-based organic compound with a unique structure. It is characterized by its thioxo and oxo groups, which contribute to its molecular properties. This compound is commonly used in pharmaceutical research and development.

What are the main uses of 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8)?

4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) is primarily used in the development of pharmaceuticals, specifically as a precursor or intermediate in the synthesis of other compounds. It also finds applications in research and industry for its unique structural properties.

Is 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) safe?

4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, including the use of appropriate personal protective equipment, to minimize exposure and ensure safe handling.

How should 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) be stored?

4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS: 23945-50-8) should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent moisture absorption. Ideal storage conditions are below 25°C and below 50% relative humidity.