2-(Ethylsulfanyl)-4,6-pyrimidinediamine

Basic Information

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CAS Number

23994-93-6

Molecular Formula

C6H10N4S

Molecular Weight

170.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCSc1nc(cc(n1)N)N

InChI

InChI=1S/C6H10N4S/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H4,7,8,9,10)

InChIKey

UBGJVBQNURZQEV-UHFFFAOYSA-N

LogP

0.7529999999999999

Topological Polar Surface Area

77.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

111

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

2 ETHYLMERCAPTO-4,6-DIAMINOPYRIMIDINE
2-(Ethylthio)pyrimidine-4,6-diamine
2-Aethylmercapto-pyrimidin-4,6-diyldiamin
2-Aethylthio-4,6-diaminopyrimidin
2-Ethylmercapto-4,6-diaminopyrimidin
2-ethylsulfanyl-pyrimidine-4,6-diamine
2-ethylsulfanyl-pyrimidine-4,6-diyldiamine
2-Ethylthio-4,6-diaminopyrimidine
AC1LHL4P
AG-E-70699
CTK4F2721
RSCBB000250
SureCN3526925
2-ethylsulfanylpyrimidine-4,6-diamine
BAS 02617249
UBGJVBQNURZQEV-UHFFFAOYSA-N
4,6-diamino-2-ethylmercaptopyrimidine
2-(Ethylsulfanyl)pyrimidine-4,6-diamine
AK542869
2-ETHYLMERCAPTO-4,6-DIAMINOPYRIMIDINE

MDL Number

MFCD00057347

Customs Code

29335990

FAQ

What are the physical and chemical properties of 2-(Ethylsulfanyl)-4,6-pyrimidinediamine (CAS: 23994-93-6)?

2-(Ethylsulfanyl)-4,6-pyrimidinediamine is a white to off-white crystalline solid with a molecular weight of approximately 218.26 g/mol. It is sparingly soluble in water and ethanol. Reactivity-wise, it is stable under normal conditions but may react with strong acids or bases. It is a versatile intermediate used in the synthesis of various medications and materials.

How is 2-(Ethylsulfanyl)-4,6-pyrimidinediamine (CAS: 23994-93-6) typically synthesized?

2-(Ethylsulfanyl)-4,6-pyrimidinediamine is typically synthesized via the reaction of ethyl mercaptan with 4,6-diaminopyrimidine. The reaction is catalyzed by a weak acid and proceeds with good selectivity and yield. The process is carried out at room temperature under inert conditions to prevent side reactions.

What industries use 2-(Ethylsulfanyl)-4,6-pyrimidinediamine (CAS: 23994-93-6)?

2-(Ethylsulfanyl)-4,6-pyrimidinediamine is used in the pharmaceutical industry for the synthesis of certain medications. It is also employed in the polymer industry, specifically in the development of advanced materials. Additionally, it has applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-(Ethylsulfanyl)-4,6-pyrimidinediamine (CAS: 23994-93-6)?

Proper handling of 2-(Ethylsulfanyl)-4,6-pyrimidinediamine involves the use of personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. Store it in a cool, well-ventilated area away from direct sunlight and heat. Always work in a fume hood to minimize exposure. In case of spill, immediately clean up using appropriate absorbent materials and refer to the Safety Data Sheet (SDS) for detailed instructions.