2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid

Basic Information

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CAS Number

1126-44-9

Molecular Formula

C6H6N2O2S

Molecular Weight

170.19 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

Basic Physical Properties

Boiling Point

378.4°C at 760 mmHg

Density

1.45

Flash Point

182.6°C

Refractive Index

1.623

SMILES

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

InChI

InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)

InChIKey

IAGNLKODEFUQDV-UHFFFAOYSA-N

LogP

0.8967

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

154

Safety Information

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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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

2-Methylsulfanyl-pyrimidine-4-carboxylic acid
2-(METHYLTHIO)-4-PYRIMIDINECARBOXYLIC ACID
NSC165382
2-Methylsulfanylpyrimidine-4-carboxylicacid
MFCD09834808
SCHEMBL1735064
2-(methylsulfanyl)pyrimidine-4-carboxylic acid
2-(methylthio)pyrimidine-4-carboxylic acid;2-Methylsulfanylpyrimidine-4-carboxylic acid
DS-0262
SB30759
2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid
NSC-165382
W-200843
AM20080078
2-methylsulfanylpyrimidine-4-carboxylic acid, AldrichCPR
FT-0649174
EN300-110137
AKOS005256876
2-(methylthio)pyrimidine-4-carboxylic acid
CS-W003659
IAGNLKODEFUQDV-UHFFFAOYSA-N
2-Methylthiopyrimidine-4-carboxylic acid
2-Methylsulfanylpyrimidine-4-carboxylic acid
Z1198233185
SY024244
1126-44-9
3-METHOXY-4-AMINOAZOBENZENE-3-SULFONICACID
AC-26634
DTXSID20304315
2-Thiomethylpyrimidine-4-carboxylic acid
2-Methylsulfanyl-pyrimidine-4-carboxylicacid

MDL Number

MFCD09834808

Customs Code

2933599090

FAQ

What is 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 1126-44-9)?

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid is a chemical compound with the CAS number 1126-44-9. It has the chemical formula C6H7NO3S and is a white or slightly yellow crystalline solid. This compound exhibits properties of being soluble in water and organic solvents. It is characterized by its stability and low toxicity.

What are the main uses of 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 1126-44-9)?

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of antiviral drugs. It also finds applications in research laboratories for its biological activity and as a component in certain chemical reactions.

Is 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 1126-44-9) safe?

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid is considered relatively safe for industrial use, but it should be handled with caution. It is important to follow safety guidelines, including wearing appropriate personal protective equipment, to minimize potential exposure. It is not flammable but can release toxic fumes when heated or exposed to fire.

How should 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 1126-44-9) be stored?

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to use a tightly sealed container to prevent moisture absorption and maintain its stability. Storage temperatures should be between 15-25°C, and the relative humidity should be controlled to avoid condensation inside the storage container.