2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one

Basic Information

View in Editor

CAS Number

5751-20-2

Molecular Formula

C5H6N2OS

Molecular Weight

142.18 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

Physical State

Powder

Melting Point

200.0 to 204.0 deg-C

Boiling Point

301.2 °C at 760 mmHg

Density

1.35

Flash Point

136 °C

Refractive Index

1.638

SMILES

View in Editor

CSC1=NC=CC(=O)N1

InChI

InChI=1S/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)

InChIKey

UYHSQVMHSFXUOA-UHFFFAOYSA-N

LogP

0.9040999999999999

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

185

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

4-hydroxy-2-methylthio-pyrimidine
CS-D0927
A8200
J-506489
MFCD00047373
NSC 165518
2-Methylsulfanyl-3H-pyrimidin-4-one
2-(methylthio)pyrimidin-4(3H)-one
4-Pyrimidinol, 2-(methylthio)-
2-(methyl-thio)pyrimidin-4-ol
NSC-165518
2-(methylsulfanyl)pyrimidin-4 (3H)-one
2-(methylthio)pyrimidin-4-ol
2-Methylthio-4-pyrimidinol
AM20100410
4-Pyrimidinol, 2-(methylthio)- (9CI)
2-Methylthio-4(3H)-pyrimidinone
2-Methylsulfanyl-4-oxopyrimidine
2-Methylthio-3H-pyrimidin-4-one
NSC-125339
2-methylthiopyrimidin-4(1H)-one
AB-323/25048187
2-Methylthio-4-pyrimidone
NSC125339
FT-0719851
2-(METHYLSULFANYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
2-methylthio-1,4-dihydro-4-oxopyrimidine
2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE
2-methylthio-3H-pyrimid-4-one
AKOS002261866
2-Methylsulfanyl-pyrimidin-4-ol

MDL Number

MFCD00047373

Customs Code

2933599090

FAQ

What is 2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2)?

2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) is a heterocyclic organic compound with the chemical formula C4H8N2OS. It features a pyrimidine ring with a methylsulfanyl group and is known for its reactivity in chemical synthesis. This compound is commonly used as an intermediate in pharmaceutical and industrial applications due to its versatile functional groups and stability under controlled conditions.

What are the main uses of 2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2)?

2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) is primarily utilized in pharmaceutical research for synthesizing antifungal and antiviral agents. It also serves as a key component in agrochemicals, such as pesticides, and is employed in organic chemistry for creating derivatives with bioactive properties. Its applications extend to industrial processes and material science due to its structural adaptability and functional versatility.

Is 2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) safe?

Safety of 2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) depends on handling conditions. While it is generally considered low-toxicity in controlled environments, direct contact may cause skin or eye irritation. Proper protective equipment, such as gloves and goggles, is recommended. Safety standards emphasize adherence to OSHA and EPA guidelines to ensure minimal risk during storage, transport, and use.

How should 2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) be stored?

2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one (CAS: 5751-20-2) should be stored in a cool, dry, and dark place, preferably at 2-8°C, to maintain stability. It requires airtight containers to prevent moisture absorption and exposure to air. Avoiding light and maintaining low humidity are critical to prevent degradation. Always store away from incompatible substances and follow recommended safety protocols for chemical storage.