Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate

Basic Information

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CAS Number

79277-27-3

Molecular Formula

C12H13N5O6S2

Molecular Weight

387.4 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

186.0 to 190.0 deg-C

Density

1.56

Refractive Index

1.609

SMILES

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COC(=O)C1=C(C=CS1)S(=O)(=O)\N=C(/O)\N=C1\NC(OC)=NC(C)=N1

InChI

InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)

InChIKey

AHTPATJNIAFOLR-UHFFFAOYSA-N

LogP

0.1734199999999999

pKa

pKa at 25°: 4.0

Topological Polar Surface Area

156.19 Å²

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

597

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

Thifensulfuron Methyl
Methyl 3-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-2-thiophenecarboxylate
thifensulfuron-methyl
Thifensulfuron-methyl solution
Harmony
methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Thifensulfuron-methyl Standard
methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate
thiameturon-methyl
Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate
Thifensulfuronmethyl

MDL Number

MFCD00468118

FAQ

What is Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate (CAS: 79277-27-3)?

Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate is a synthetic organic compound with the CAS number 79277-27-3. It contains a thiophene ring functionalized with a sulfamoyl group and a carbamoyl group linked to a triazinyl moiety. This compound is known for its potential role in medicinal chemistry and is often used as a building block in drug development. Its chemical formula is C15H19N6O6S2.

What are the main uses of Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate (CAS: 79277-27-3)?

This compound is primarily used in pharmaceutical research as a precursor for developing drugs targeting specific biological pathways. It is also applied in organic synthesis for creating complex molecules with antimicrobial or anti-inflammatory properties. Due to its structural versatility, it may find applications in agrochemicals and materials science. Its use in drug discovery and development is a key area of interest in medicinal chemistry.

Is Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate (CAS: 79277-27-3) safe?

Safety of this compound depends on its application and exposure conditions. In general, it is considered to have moderate toxicity and should be handled with care. Protective measures such as gloves, goggles, and proper ventilation are recommended during use. It is important to follow safety guidelines and regulatory standards to ensure safe handling and minimize health risks.

How should Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate (CAS: 79277-27-3) be stored?

This compound should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage conditions are essential to prevent degradation and ensure long-term usability in research or industrial settings.