5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone

Basic Information

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CAS Number

76510-61-7

Molecular Formula

C5H5IN2OS

Molecular Weight

268.08 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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CSC1=NC=C(C(=O)N1)I

InChI

InChI=1S/C5H5IN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)

InChIKey

WTHKWCNGAAYWAQ-UHFFFAOYSA-N

LogP

1.5086999999999997

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

224

Synonyms & References

English

SCHEMBL4775824
AG-H-05354
AKOS030230134
CS-0078762
5-iodo-2-methylsulfanyl-3H-pyrimidin-4-one
5-iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone
5-iodo-2-(methylthio)pyrimidin-4-ol
EN300-1268287
MFCD20482161
SB58421
5-IODO-2-(METHYLSULFANYL)PYRIMIDIN-4-OL
AS-65055
AM805349
2-methylthio-4-hydroxy-5-iodopyrimidine
SCHEMBL16466339
BDA51061
FT-0722355
4(3H)-Pyrimidinone,5-iodo-2-(methylthio)-
WTHKWCNGAAYWAQ-UHFFFAOYSA-N
5-iodo-2-(methylthio)-4(3H)-Pyrimidinone
Z1269142805
SCHEMBL14119366
5-Iodo-2-(methylthio)pyrimidin-4(3H)-one
DTXSID30463482
5-iodo-2-methylsulfanyl-1H-pyrimidin-6-one
76510-61-7
AN-584/43507493
5-Iodo-2-(methylthio)pyrimidin-4-ol
2-(Methylthio)-4-hydroxy-5-iodopyrimidine
2S-Methyl-5-iodo-2-thiouracil
4(1H)-Pyrimidinone,5-iodo-2-(methylthio)- (9CI)

MDL Number

MFCD20482161

FAQ

What is 5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS: 76510-61-7)?

5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone is a chemical compound with the CAS number 76510-61-7. It is a pyrimidine derivative containing an iodo group and a methylthio group. This compound is typically colorless to white crystalline solid with a molecular formula of C5H5IN2O and a molecular weight of 214.96 g/mol. It is soluble in common organic solvents such as ethanol and acetone, but less soluble in water.

What are the main uses of 5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS: 76510-61-7)?

5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone is primarily used as an intermediate in the synthesis of other chemical compounds, particularly in the pharmaceutical industry. It can also be used as a reagent in certain organic reactions and as a starting material for further chemical modifications. Due to its functional groups, it can be employed in various research applications.

Is 5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS: 76510-61-7) safe?

5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone is generally safe when used under appropriate conditions and with proper handling. However, it should be handled with caution due to its nature as a chemical compound. It is important to follow all safety guidelines, including wearing protective equipment such as gloves and goggles, and storing it in a secure, well-ventilated area away from heat and ignition sources. Ingestion, inhalation, or contact with skin or eyes should be avoided.

How should 5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS: 76510-61-7) be stored?

5-Iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation and exposure to moisture. The storage area should be well-ventilated and accessible only to authorized personnel. Additionally, it should be kept away from incompatible materials such as reducing agents and oxidizers to minimize the risk of chemical reactions.