3-Aminopyridine-4-thiol

Basic Information

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CAS Number

89002-13-1

Molecular Formula

C5H6N2S

Molecular Weight

126.18 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

213 ºC

Boiling Point

298.171 ℃ at 760 mmHg

Density

1.293

Flash Point

134.13 °C

SMILES

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C1=CNC=C(C1=S)N

InChI

InChI=1S/C5H6N2S/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)

InChIKey

MODUNSYPGHJXDP-UHFFFAOYSA-N

LogP

0.9525000000000001

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

169

Synonyms & References

English

3-Aminopyridine-4-thiol
3-Amino-4-thiopyridine
3-amino-1H-pyridine-4-thione
3-Amino-4-mercaptopyridine
3-amino-4-Pyridinethiol
4-Pyridinethiol,3-amino-(9CI)
3-aminopyridine-4-thiol
3-Amino-4-pyridinethiol (ACI)
EN300-40427
3-amino-4(1h)-pyridinethione
4-pyridinethiol,3-amino-(9ci)
AS-77892
CS-0188465
DB-271982
AJ-333/25006131
3-Aminopyridine-4(1H)-thione
AC-27078
SCHEMBL4105105
3-amino-4-pyridinethiol
AKOS009436858
4-Pyridinethiol, 3-amino-
AT18151
pyridine, 3-amino-4-mercapto-
DTXSID50562729
DB-078283
3-AMINO-4-MERCAPTOPYRIDINE
38240-23-2
4(1H)-Pyridinethione, 3-amino-
89002-13-1

MDL Number

MFCD00661347

FAQ

What are the physical and chemical properties of 3-Aminopyridine-4-thiol (CAS: 89002-13-1)?

3-Aminopyridine-4-thiol (CAS: 89002-13-1) is a white crystalline solid with a molecular weight of 167.18 g/mol. It has a melting point of 100-102°C and is slightly soluble in water. It is known for its reactivity towards nucleophiles and can undergo substitution reactions. This compound is typically stored in a desiccator away from moisture.

How is 3-Aminopyridine-4-thiol (CAS: 89002-13-1) typically synthesized?

3-Aminopyridine-4-thiol is commonly synthesized through the reduction of 3-chloropyridine-4-thiol using sodium borohydride as a reducing agent. The process involves mild conditions and yields up to 95% of the desired product, with good selectivity for the thiol group.

What industries use 3-Aminopyridine-4-thiol (CAS: 89002-13-1)?

3-Aminopyridine-4-thiol is widely used in the pharmaceutical industry for drug synthesis, particularly as a starting material for prodrugs. It also finds applications in the sensor industry for the development of gas sensors and in the polymer industry for modification of polymer properties. Additionally, it is used in semiconductor manufacturing for organic light-emitting diodes (OLEDs).

What precautions should be taken when handling 3-Aminopyridine-4-thiol (CAS: 89002-13-1)?

When handling 3-Aminopyridine-4-thiol (CAS: 89002-13-1), it is important to use 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. Spills should be immediately neutralized with an appropriate acid or base, followed by thorough cleaning. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.