6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (1:1)

Basic Information

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CAS Number

65802-56-4

Molecular Formula

C4H7N3O2S

Molecular Weight

161.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Physical State

White to Yellow Solid

Melting Point

>300 °C

Boiling Point

557 °C at 760 mmHg

Water Solubility

Soluble in water and DMSO.

Flash Point

290.7 °C

SMILES

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C1=C(NC(=S)NC1=O)N.O

InChI

InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2

InChIKey

BWYGMIYEADAIGW-UHFFFAOYSA-N

LogP

-0.8100100000000001

Topological Polar Surface Area

106.16999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 5

Complexity

198

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate, AldrichCPR
6-Amino-2-mercapto-4-pyrimidinol monohydrate
4-Amino-6-hydroxy-2-mercapto-pyrimidine monohydrate
SCHEMBL8081142
4amino-6-hydroxy-2-mercaptopyrimidine monohydrate
4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-, monohydrate
4-Amino-6-hydroxy-2-mercaptopyrimidine Hydrate
4-amino-6-hydroxy-2-mercapto pyrimidine monohydrate
SCHEMBL212249
MFCD00150556
AKOS015916940
4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate, 98%
6-amino-2-mercapto-3H-pyrimidin-4-one monohydrate
AMY21862
6-Amino-2-thiouracil hydrate
AC-1541
6-amino-2-mercaptopyrimidin-4-ol monohydrate
PS-8762
65802-56-4
SB57240
DTXSID20215992
BWYGMIYEADAIGW-UHFFFAOYSA-N
4-Amino-6-hydroxy-2-mercaptopyrimdine monohydrate
W-203435
F0001-1758
4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate
6-amino-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one hydrate
6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-onehydrate
6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;hydrate
EN300-256865

MDL Number

MFCD00150556

Customs Code

2933599090

FAQ

What is 6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4)?

6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) is an organic compound with a molecular structure that includes a pyrimidine ring with a thioxo group and an amino group. It is commonly used as a research reagent and intermediate in chemical synthesis.

What are the main uses of 6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4)?

6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) is primarily used in pharmaceutical research for the synthesis of bioactive compounds and as a reagent in organic synthesis. It is also utilized in the development of new materials and in academic research for its unique chemical properties.

Is 6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) safe?

6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) is generally safe when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight and heat sources. Protective equipment such as gloves and goggles should be worn during handling to avoid skin contact and inhalation.

How should 6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) be stored?

6-Amino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone hydrate (CAS: 65802-56-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Optimal storage conditions are below 25°C and with a relative humidity below 50% to ensure its stability and purity.