Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate

Basic Information

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CAS Number

73781-88-1

Molecular Formula

C8H10N2O2S

Molecular Weight

198.25 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

33-36°C

Boiling Point

313.5 ℃ at 760 mmHg

SMILES

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CCOC(=O)C1=CN=C(N=C1)SC

InChI

InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-9-8(13-2)10-5-6/h4-5H,3H2,1-2H3

InChIKey

LVNRRUKCFUSBDL-UHFFFAOYSA-N

LogP

1.3752

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

170

Safety Information

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Hazard Statement

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

LVNRRUKCFUSBDL-UHFFFAOYSA-N
PB17441
AKOS005146369
AC-26649
J-520648
A9501
2-methylthio-5-ethoxycarbonylpyrimidine
Ethyl2-(Methylthio)pyrimidine-5-carboxylate
2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
DTXSID60439953
ethyl 2-(methylsulfanyl)pyrimidine-5-carboxylate
SCHEMBL243831
FT-0647881
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
2-methylthio-5-pyrimidinecarboxylic acid ethyl ester
AM20100713
Ethyl 2-(methylthio)pyrimidine-5-carboxylate
SY011806
ethyl 2-methylthio-5-pyrimidinecarboxylate
MFCD07779178
Ethyl 2-methylsulfanylpyrimidine-5-carboxylate
CS-0045713
PS-5129
ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE
ethyl 2-methylthiopyrimidine-5-carboxylate
BCP26448
73781-88-1
5-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester
2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER
Ethyl 2-(methylthio)-5-pyrimidinecarboxylate
ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE

MDL Number

MFCD07779178

Customs Code

2933599090

FAQ

What regulatory guidelines apply to Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1)?

Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for reporting substances, and FDA/EPA requirements for chemical safety and environmental impact. Specific guidelines include health hazard classification, environmental release prevention, and storage conditions.

Are there alternatives to Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) in synthesis?

In synthesis, Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) can be replaced by similar compounds such as other 2-(methylsulfanyl) derivatives or isomeric pyrimidine carboxylates. Common alternatives include ethyl 2-(methylthio)-5-pyrimidinecarboxylate and ethyl 2-(ethylsulfanyl)-5-pyrimidinecarboxylate, which offer similar functionality but with different chemical properties.

What is the market or research trend for Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1)?

The market for Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) is seeing research trends focused on its application in pharmaceuticals and agriculture due to its biocidal and pesticidal properties. Recent studies highlight its potential as a fungicide and herbicide, with ongoing research into optimizing its efficacy and safety.

How should waste containing Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) be handled?

Waste containing Ethyl 2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS: 73781-88-1) should be collected in appropriate containers and disposed of through professional waste handling services. Incineration is a common method for disposal, but careful attention must be paid to minimize environmental impact. Environmental protection measures include ensuring proper containment to prevent soil and water contamination.