4,6-Dimethoxy-2-methylthiopyrimidine

Basic Information

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CAS Number

90905-46-7

Molecular Formula

C7H10N2O2S

Molecular Weight

186.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

56-60 ºC

Density

1.2

Refractive Index

1.54

SMILES

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COC1=CC(=NC(=N1)SC)OC

InChI

InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3

InChIKey

URSYQIBBJXLQBW-UHFFFAOYSA-N

LogP

1.2156999999999998

Topological Polar Surface Area

44.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

125

Safety Information

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Hazard Statement

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

4,6-Dimethoxy-2-Methylthiopyrimidine
2-Chloro-5-aminobenzonic acid
4,6-Dimethoxy-2-methylmercaptopyrimidine
4,6-Dimethoxy-2-(methylthio)pyrimidine (ACI)
2-Methylthio-4,6-dimethoxypyrimidine
4,6-Dimethoxy-2-methylsulfanylpyrimidine
4,6-dimethoxy-2-(methylthio)pyrimidine
4,6-dimethoxy-2-methylsulfanylpyrimidine
Maybridge3_007549
AKOS006344527
IDI1_018936
SB55569
AC-26653
SCHEMBL5353299
AS-10848
W-204045
MFCD00792663
Pyrimidine, 4,6-dimethoxy-2-(methylthio)-
4,6-dimethoxy-2-methylmercaptopyrimidine
2-Methylthio-4,6-dimethoxypyrimidine; 4,6-Dimethoxy-2-methylsulfanylpyrimidine
4,6-dimethoxy-2-(methylsulfanyl)pyrimidine
CS-0019035
90905-46-7
DTXSID60372619
HMS1452K02
4,6-Dimethoxy-2-methylthiopyrimidine

MDL Number

MFCD00792663

Customs Code

2933599090

FAQ

What is 4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7)?

4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) is a synthetic organic compound with the chemical formula C7H10N2O3S. It features a pyrimidine ring substituted with methoxy groups at positions 4 and 6, and a methylthio group at position 2. This compound is typically a yellow solid with moderate solubility in polar solvents. Its structure makes it a potential intermediate in pharmaceutical and chemical synthesis applications.

What are the main uses of 4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7)?

4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) is primarily used in pharmaceutical research as a building block for drug development. It may also serve as an intermediate in the synthesis of bioactive compounds or agrochemicals. Due to its chemical versatility, it is studied for applications in organic chemistry and molecular biology, though specific commercial uses are not widely documented.

Is 4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) safe?

4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) is generally considered safe when handled under proper laboratory conditions. However, it may cause mild irritation to skin or eyes, so protective measures like gloves, goggles, and ventilation are recommended. Safety data is limited, so adherence to standard chemical safety protocols and regulatory guidelines is essential for safe handling and storage.

How should 4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) be stored?

4,6-Dimethoxy-2-methylthiopyrimidine (CAS: 90905-46-7) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It requires airtight containers to prevent moisture exposure and degradation. Avoiding light and maintaining low humidity ensures stability. Always store in a well-ventilated area, away from incompatible substances, to preserve its chemical integrity.