5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid

Basic Information

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CAS Number

100130-05-0

Molecular Formula

C6H7N3O2S

Molecular Weight

185.21 g/mol

Basic Physical Properties

Boiling Point

434.9°C at 760 mmHg

Flash Point

216.864℃

Refractive Index

1.668

SMILES

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

InChI

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

InChIKey

NTEPDMJNOBYJHJ-UHFFFAOYSA-N

LogP

0.47890000000000005

Topological Polar Surface Area

89.10000000000001 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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

AKOS015854561
EN300-122813
100130-05-0
MFCD12407810
5-Amino-2-(methylthio)
DTXSID60571746
AMY16193
SCHEMBL6989833
5-amino-2-(methylthio)pyrimidine-4-carboxylic acid
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
SY011532
C6H7N3O2S
5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
J-516670
FT-0645688
5-Amino-2-(methylthio)pyrimidine-4-carboxylicAcid
5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
MB11944
4-Pyrimidinecarboxylicacid,5-amino-2-(methylthio)-
DS-11232
5-amino-2-(methylthio)-4-pyrimidinecarboxylic acid
5-amino-2-methylsulfanyl-pyrimidine-4-carboxylic acid;5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid
A800052
CS-W009057
5-Amino-2-(methylthio)pyrimidine-4-carboxylic acid
4-Pyrimidinecarboxylicacid, 5-amino-2-(methylthio)-
5-aMino-2-(Methylthio)pyriMidine-4-carboxylic
5-Amino-2-(methylthio)-4-pyrimidinecarboxylic acid
5-aMino-2-(Methylsulfanyl)pyriMidine-4-carboxylic acid
TRA0055394
WT82475

MDL Number

MFCD12407810

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 100130-05-0)?

5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 226.27 g/mol. It is slightly soluble in water and ethanol. Chemically, it is relatively stable but can react with strong acids or bases. It is used in various synthetic reactions and pharmaceutical applications.

How is 5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 100130-05-0) typically synthesized?

5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid can be synthesized via a multi-step process involving the reaction of 2-methylsulfanyl-4-pyrimidinone with an amino acid. Commonly used catalysts include sodium hydroxide, and the reaction yields a high purity product with good selectivity and yield.

What industries use 5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 100130-05-0)?

5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid is widely used in pharmaceuticals for the synthesis of various bioactive compounds. It also finds applications in the polymer industry for the development of new materials and in the sensor industry for its reactivity with specific analytes.

What precautions should be taken when handling 5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid (CAS: 100130-05-0)?

When handling 5-Amino-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be stored in a cool, dry place, away from direct sunlight. In case of a spill, it is recommended to use appropriate spill kits and to consult the Material Safety Data Sheet (SDS) for further guidance.