2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

Basic Information

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CAS Number

5234-68-4

Molecular Formula

C12H13NO2S

Molecular Weight

235.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

89.0 to 93.0 deg-C

Boiling Point

420.6°C at 760 mmHg

Water Solubility

10.095 g/100 mL

Refractive Index

1.6000 (estimate)

SMILES

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CC1=C(SCCO1)C(=O)Nc2ccccc2

InChI

InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

InChIKey

GYSSRZJIHXQEHQ-UHFFFAOYSA-N

LogP

2.620000000000001

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

295

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in rats, mice (mg/kg): 430, 3200 orally (Dyadicheva)

Synonyms & References

English

carboxin
5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Carboxin Solution
Carboxine
Carboxine Standard
Vitavax
2,3-dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
2,3-dihydro-6-methyl-5-phenylcarbamyl-1,4-oxathiin
2-methyl-N-phenyl-5,6
2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
5,6-Dihydro-2-methyl-1,4-oxathiine-3-carboxanilide
Carbathiin
DCMO
DMOC
Method 525.2 Nitrogen
Phosphorous Pesticide Mix
Vitavax 735D
5,6-Dihydro-2-methyl-1,4-oxathi-ine-3-carboxanilide
Fenoxan
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
Carboxin

MDL Number

MFCD00055403

Customs Code

2934999038

FAQ

What is 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4)?

2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4) is a synthetic organic compound with the molecular formula C10H13NO3S. It contains an oxathiine ring fused with a carboxamide group, making it a versatile intermediate in chemical synthesis. The compound is typically a white crystalline solid, known for its stability under standard conditions and potential applications in pharmaceutical and industrial sectors.

What are the main uses of 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4)?

This compound is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds targeting metabolic disorders. It also serves in industrial applications for polymer synthesis and as an intermediate in agrochemical formulations. Its unique chemical structure makes it valuable in organic chemistry research for functional group modifications and derivative synthesis.

Is 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4) safe?

The safety profile of 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4) is generally considered low when handled properly, but it requires standard lab safety precautions. Avoid inhalation and skin contact, and use personal protective equipment (PPE) such as gloves and goggles. No specific toxicological data is widely available, so adherence to general chemical safety guidelines is recommended.

How should 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4) be stored?

Store 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (CAS: 5234-68-4) in a cool, dry place (ideally 2-8°C), away from light. Use airtight, dark-colored containers to prevent degradation. Maintain low humidity levels and ensure the storage area is well-ventilated to preserve stability and prolong shelf life.