3-Pyridinecarbothioamide

Basic Information

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CAS Number

4621-66-3

Molecular Formula

C6H6N2S

Molecular Weight

138.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

179-191°C

Boiling Point

278.9°Cat760mmHg

Flash Point

160 °C

Refractive Index

1.5300 (estimate)

SMILES

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C1=CC(=CN=C1)C(=S)N

InChI

InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

InChIKey

XQWBMZWDJAZPPX-UHFFFAOYSA-N

LogP

0.7158000000000001

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

114

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

T0765
BRN 0109593
UNII-6A0HXX0753
SCHEMBL8692651
SY026920
Thionicotinamide
CHEMBL3741182
EINECS 225-036-6
AMY13354
BB 0258227
AKOS000119582
DTXSID9063536
AS-11018
3-Thiocarbamoylpyridine
pyridine-3-carbothioamide
F0001-1251
NSC-18336
Q27264385
M58
6A0HXX0753
SCHEMBL259899
HMS1760C13
NSC18336
A827011
CS-0072201
3-Pyridylthioformamide
MFCD00006399
BDBM60920
NSC 18336
NS00031590
3-Thioamidopyridine

MDL Number

MFCD00006399

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Pyridinecarbothioamide (CAS: 4621-66-3)?

3-Pyridinecarbothioamide (CAS: 4621-66-3) is a white crystalline solid with a molecular weight of approximately 140.17 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is reactive, particularly towards nucleophiles and oxidizing agents, making it useful in various organic synthesis reactions.

How is 3-Pyridinecarbothioamide (CAS: 4621-66-3) typically synthesized?

3-Pyridinecarbothioamide (CAS: 4621-66-3) is typically synthesized via the reaction of 3-pyridyl isothiocyanate with primary amines. This reaction is often catalyzed by Lewis acids or metal complexes, leading to a high yield of the desired product with good selectivity.

What industries use 3-Pyridinecarbothioamide (CAS: 4621-66-3)?

3-Pyridinecarbothioamide (CAS: 4621-66-3) finds applications in the pharmaceutical industry as a precursor for drug synthesis, particularly in the development of antiviral and anticancer drugs. It is also used in the polymer industry for the modification of polymer properties and in the sensing industry for the development of gas sensors.

What precautions should be taken when handling 3-Pyridinecarbothioamide (CAS: 4621-66-3)?

When handling 3-Pyridinecarbothioamide (CAS: 4621-66-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of spillage, neutralize with an acid or base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.