Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate

Basic Information

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CAS Number

1445988-32-8

Molecular Formula

C10H9N3O3S

Molecular Weight

251.27 g/mol

Basic Physical Properties

SMILES

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COc1nc(sn1)NC(=O)Oc2ccccc2

InChI

InChI=1S/C10H9N3O3S/c1-15-8-11-9(17-13-8)12-10(14)16-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13,14)

InChIKey

WLFZBSSDZNVOJT-UHFFFAOYSA-N

LogP

2.1575999999999995

Topological Polar Surface Area

73.34000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

261

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

phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
Phenyl{[3-2-Methoxy-1,2,4-thiadiazol-5-yl}carbaMate
WLFZBSSDZNVOJT-UHFFFAOYSA-N
AK549990
phenyl(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate

MDL Number

MFCD30489554

FAQ

What are the physical and chemical properties of Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8)?

Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8) is a crystalline solid with a molecular weight of approximately 288.26 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is thermally stable and exhibits moderate reactivity towards nucleophiles and reducing agents.

How is Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8) typically synthesized?

Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate is typically synthesized via a multistep process involving the reaction of phenyl isocyanate with 3-methoxy-1,2,4-thiadiazole. The synthesis requires careful control of reaction conditions, including temperature and the use of appropriate solvents. The final product is isolated and purified using techniques such as column chromatography and recrystallization.

What industries use Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8)?

Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various medicinal compounds and can be used as a functional group for further chemical modification in organic synthesis.

What precautions should be taken when handling Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8)?

When handling Phenyl (3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CAS: 1445988-32-8), it is essential to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of spills, neutralize with an appropriate absorbent and dispose of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.