Cyclopropanecarbothioamide

Basic Information

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CAS Number

20295-34-5

Molecular Formula

C4H7NS

Molecular Weight

101.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

111-113℃

Boiling Point

176.9±23.0 ºC (760 Torr),

Flash Point

60.8±22.6 ºC,

SMILES

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NC(=S)C1CC1

InChI

InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)

InChIKey

IIPJWNFOLPDTEQ-UHFFFAOYSA-N

LogP

0.6825000000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

75.6

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Cyclopropanecarbothioic acid amide
Cyclopropanethiocarboxamide
Cyclopropane carbothioamide
aminocyclopropylmethane-1-thione
Cyclopropanthiocarbonsaeureamid
cyclopropyl thioamide
cyclopropylthioacetamide
cyclopropanecarbothioamide
cyclopropanethioamide
cyclopropane-thiocarboxamide
Cyclopropane-1-carbothioamide
IIPJWNFOLPDTEQ-UHFFFAOYSA-N
STK351147
6843AD
AB50595
AB0081280
ST45119064
BB 0262363

MDL Number

MFCD09469287

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Cyclopropanecarbothioamide (CAS: 20295-34-5)?

Cyclopropanecarbothioamide (CAS: 20295-34-5) is a colorless to white crystalline solid with a molecular weight of approximately 122.17 g/mol. It has a slight solubility in water and a higher solubility in organic solvents like ethanol and acetone. The compound is chemically reactive, particularly towards electrophiles, and can undergo nucleophilic substitution reactions.

How is Cyclopropanecarbothioamide (CAS: 20295-34-5) typically synthesized?

Cyclopropanecarbothioamide (CAS: 20295-34-5) is commonly synthesized by the reaction of cyclopropanecarboxylic acid with carbon disulfide in the presence of a catalytic amount of a Lewis acid, such as aluminum chloride. The process typically yields high selectivity and good to excellent yield under moderate conditions.

What industries use Cyclopropanecarbothioamide (CAS: 20295-34-5)?

Cyclopropanecarbothioamide (CAS: 20295-34-5) finds applications in the pharmaceutical industry due to its potential as a precursor for drug synthesis. It is also used in the polymer industry for the development of specialized polymers, and in the sensor industry for gas sensing applications.

What precautions should be taken when handling Cyclopropanecarbothioamide (CAS: 20295-34-5)?

When handling Cyclopropanecarbothioamide (CAS: 20295-34-5), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbents, and proper safety data sheets (SDS) should always be consulted for detailed safety information.