4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione

Basic Information

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CAS Number

77168-63-9

Molecular Formula

C8H6N2S2

Molecular Weight

194.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

356.135°C at 760 mmHg

SMILES

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C1=CN=CC=C1C2=CSC(=S)N2

InChI

InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11)

InChIKey

LEQNUYXXLYRUNY-UHFFFAOYSA-N

LogP

2.4938000000000007

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

219

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

4-(Pyridin-4-yl)thiazole-2(3H)-thione
Q-100823
4-pyridin-4-yl-thiazole-2-thiol
4-(4-pyridyl)-3H-thiazole-2-thione;4-(Pyridin-4-yl)thiazole-2-thiol
DS-11885
EN300-4299859
LEQNUYXXLYRUNY-UHFFFAOYSA-N
4-pyridin-4-yl-3H-1,3-thiazole-2-thione
DTXSID90625403
77168-63-9
AM20061498
4-(Pyridin-4-yl)-1,3-thiazole-2(3H)-thione
2(3H)-Thiazolethione, 4-(4-pyridinyl)
MFCD22683159
BCP28572
CS-0096878
4-(pyridin-4-yl)-1,3-thiazole-2-thiol
SCHEMBL1810828
CHEMBL4085253
AKOS006324603
EC 616-441-2
MFCD11506654
4-(4-Pyridinyl)thiazole-2-thiol
FT-0654915
SY034854
4-(PYRIDIN-4-YL)THIAZOLE-2-THIOL
2(3H)-Thiazolethione, 4-(4-pyridinyl)-
4-(4-Pyridyl)thiazole-2(3H)-thione
NS00006841
A838990
AC-27014

MDL Number

MFCD11506654

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione (CAS: 77168-63-9)?

4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione has a crystalline form and a molecular weight of approximately 202.22 g/mol. It is slightly soluble in water and ethanol. This compound is not highly reactive under normal conditions but can undergo thiol-disulfide interchange reactions. It is stable under neutral and slightly acidic conditions but should be stored away from strong oxidizers and reducing agents.

How is 4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione (CAS: 77168-63-9) typically synthesized?

4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione can be synthesized via the thiocondensation of 4-pyridyl mercaptan with thiosemicarbazide. The reaction typically requires basic conditions and is carried out in solvents such as ethanol or methanol. The yield is generally around 70-80%, and the product can be isolated by recrystallization from an appropriate solvent.

What industries use 4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione (CAS: 77168-63-9)?

4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione is used in various industries. It finds applications in pharmaceuticals, where it can act as a precursor for the synthesis of certain drugs. It also has potential uses in the synthesis of materials for polymers and sensors. Additionally, it can be used in the development of certain semiconductor materials due to its thiazole group, which can influence electronic properties.

What precautions should be taken when handling 4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione (CAS: 77168-63-9)?

When handling 4-(4-Pyridinyl)-1,3-thiazole-2(3H)-thione, it is important to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.