ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate

Basic Information

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CAS Number

778-97-2

Molecular Formula

C9H13N3O2S

Molecular Weight

227.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

104-106°C

Boiling Point

379.2°Cat760mmHg

Density

1.27

Flash Point

183.1°C

Refractive Index

1.575

SMILES

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CCOC(=O)C1=CN=C(N=C1N)SCC

InChI

InChI=1S/C9H13N3O2S/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3,(H2,10,11,12)

InChIKey

ODFLPYCOQXPONS-UHFFFAOYSA-N

LogP

1.3475

Topological Polar Surface Area

78.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

216

Safety Information

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Hazard Statement

Synonyms & References

English

4-Amino-5-carbethoxy-2-ethylmercaptopyrimidine
CS-0001419
ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate
HMS3472J10
Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate
MFCD00047375
5-Pyrimidinecarboxylic acid, 4-amino-2-(ethylthio)-, ethyl ester
NSC-122026
4-amino-2-(ethylthio)-5-pyrimidinecarboxylicethyl ester
NSC 122026
AMY11038
A9835
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
4-amino-2-(ethylthio)-5-pyrimidinecarboxylic ethyl ester
SCHEMBL1991090
AKOS000884663
4-amino-2-ethylthio-5-pyrimidinecarboxylic acid ethyl ester
J-520962
Z24688044
4-Amino-2-ethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
CCG-165040
NSC122026
AS-37689
778-97-2
DTXSID00228424
Ethyl 2-Ethylthio-4-Aminopyrimidine-5-Carboxylate
SB58095
ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate
4-Amino-2-ethylthio-5-pyrimidine carboxylic acid ethyl ester
FT-0632948
AC-26620

MDL Number

MFCD00047375

Customs Code

2933599090

FAQ

What regulatory guidelines apply to ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2)?

Ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) falls under various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the EU, and FDA/EPA regulations for chemical safety and handling. Specific requirements include proper labeling, storage, and disposal to prevent environmental and health hazards.

Are there alternatives to ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) in synthesis?

While ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) is a specific compound, alternatives in synthesis could include related analogs such as ethyl 4-amino-2-ethylthiopyrimidine-5-carboxylate or other amino-sulfanyl-pyrimidine derivatives. These alternatives may offer similar functionalities with varying degrees of reactivity and solubility.

What is the market or research trend for ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2)?

The market for ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) is driven by its use in pharmaceuticals and research due to its unique chemical properties. Research trends focus on its potential in drug development for treating various diseases. Market trends indicate steady demand, with slight fluctuations based on pharmaceutical innovation and regulatory approvals.

How should waste containing ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) be handled?

Waste containing ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate (CAS: 778-97-2) should be collected in appropriate containers, labeled as hazardous waste, and disposed of by professional waste management services. Incineration is a common method, followed by environmental monitoring to ensure compliance with local and international regulations on chemical waste disposal.