4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Basic Information

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CAS Number

771-81-3

Molecular Formula

C6H7N3O2S

Molecular Weight

185.21 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

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)(H2,7,8,9)

InChIKey

AOBVZYNKWONVRH-UHFFFAOYSA-N

LogP

0.47889999999999994

Topological Polar Surface Area

89.1 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

178

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

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

Synonyms & References

English

AOBVZYNKWONVRH-UHFFFAOYSA-N
CS-0042856
4-Amino-2-methylmercaptopyrimidine-5-carboxylic acid
DTXSID60622722
SB57325
4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
SCHEMBL3084614
4-amino-2-(methylthio)pyrimidine-5-carboxylicacid
DS-5614
Z478193362
4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid
A865326
MFCD00186102
AKOS002675902
EN300-142704
4-amino-2-(methylthio)pyrimidine-5-carboxylic acid
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid
771-81-3
4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid
4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-
4-Amino-2-methylmercapto-pyrimidin-5-carbonsaeure
4-amino-2-methylmercaptopyrimidine-5-carboxylic acid
4-amino-2-methylthiopyrimidine-5-carboxylate
4-amino-2-methylthiopyrimidine-5-carboxylic acid
BB_SC-8072
CTK2G6781
SBB017486
STK946254
SureCN3084614
AK127918

MDL Number

MFCD00186102

FAQ

What is 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3)?

4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) is a white to slightly yellow crystalline solid with a molecular formula of C6H9N3O2S. It is soluble in water and has a pKa of approximately 5.8. This compound is used in pharmaceuticals and as a reagent in organic synthesis.

What are the main uses of 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3)?

4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) is primarily used as an intermediate in the synthesis of pharmaceuticals and as a reagent in organic chemistry. It is also used in the preparation of various derivatives and in the development of new drugs.

Is 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) safe?

4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) is generally safe when handled with appropriate precautions. It is important to use proper personal protective equipment (PPE) and to follow good laboratory practices. Avoid contact with skin and eyes, and ensure good ventilation.

How should 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) be stored?

4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid (CAS: 771-81-3) 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 protect it from moisture and air. Store the compound at room temperature (15-25°C) and avoid storing it in excessive humidity or in damp conditions.