Quinoline-4-carbothioamide

Basic Information

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CAS Number

74585-98-1

Molecular Formula

C10H8N2S

Molecular Weight

188.26 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

SMILES

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C1=CC=C2C(=C1)C(=CC=N2)C(=S)N

InChI

InChI=1S/C10H8N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,13)

InChIKey

CVBYCKKBOIJRTK-UHFFFAOYSA-N

LogP

1.869

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

205

Synonyms & References

English

4-Quinolinecarbothioamide, AldrichCPR
SCHEMBL11157581
MFCD02179220
AB11047
CS-0455456
4-Quinolinecarbothioamide #
A25994
AKOS013180581
Quinoline-4-thiocarboxamide
DTXSID30418750
CVBYCKKBOIJRTK-UHFFFAOYSA-N
EN300-1867900
D79707
FT-0651359
Quinoline-4-carbothioic acid amide
quinoline-4-carbothioamide
74585-98-1
J-524192
4-Thiocarbamylquinoline
Quinoline-4-carbothioamide
4-Quinolinecarbothioamide
QUINOLINE-4-CARBOTHIOIC ACID AMIDE
4-Quinolinethiocarboxamide
Chinolin-4-thiocarbonsaeure-amid

MDL Number

MFCD02179220

Customs Code

2933499090

FAQ

What are the physical and chemical properties of Quinoline-4-carbothioamide (CAS: 74585-98-1)?

Quinoline-4-carbothioamide is a solid with a crystalline form and a molecular weight of approximately 228.24 g/mol. It is slightly soluble in water but more soluble in organic solvents like DMSO. Chemically, it is relatively stable but can react with strong acids or bases. Its reactivity is moderate and it is not prone to spontaneous decomposition under normal storage conditions.

How is Quinoline-4-carbothioamide (CAS: 74585-98-1) typically synthesized?

Quinoline-4-carbothioamide is typically synthesized via a multistep process that includes the preparation of a thioamide, followed by its reaction with 4-chloroquinoline. Commonly used catalysts include sodium hydride, and the overall yield is moderate, around 50-70%.

What industries use Quinoline-4-carbothioamide (CAS: 74585-98-1)?

Quinoline-4-carbothioamide is used in the pharmaceutical industry for its potential as an antifungal agent. It is also explored in the polymer industry for its catalytic properties and in sensor technology for its reactivity with certain analytes.

What precautions should be taken when handling Quinoline-4-carbothioamide (CAS: 74585-98-1)?

When handling Quinoline-4-carbothioamide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood. In case of a spill, use appropriate spill kits and follow local safety guidelines. Always refer to the Safety Data Sheet (SDS) for detailed safety information.