2-Pyridinethiol 1-oxide

Basic Information

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CAS Number

1121-31-9

Molecular Formula

C5H5NOS

Molecular Weight

127.17 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

Melting Point

70.0 to 73.0 deg-C

Boiling Point

253.8°Cat760mmHg

Flash Point

107.3°C

Solubility

Soluble in tris-hydrochloric acid.

Refractive Index

1.5480 (estimate)

SMILES

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

InChI

InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H

InChIKey

FGVVTMRZYROCTH-UHFFFAOYSA-N

LogP

1.40380

Complexity

162

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

Q27116892
Pyridine-2-thiol N-oxide
YBBJKCMMCRQZMA-UHFFFAOYSA-
1121-31-9
pyrithione
NS00014197
CHEMBL1650619
BDBM50366038
AKOS001147723
LS-13036
2(1H)-Pyridinethione, 1-hydroxy-
D78428
AM20210024
HY-B1747
N-Hydroxypyridine-2-thione
FT-0612771
H0302
WLN: T6NYJ AQ BUS
PYRITHIONE [WHO-DD]
AI3-60234
1-Hydroxy-2(1H)-pyridinethione
pyridinethiol n-oxide
EINECS 214-328-9
1-hydroxypyridine-2-thione
2-Thiopyridine-N-oxide-
BRN 0906983
J-002710
2-ercaptopyridine--xide
HMS1772L20
2-mercapto-pyridine-N-oxide
1-hydroxy-1,2-dihydropyridine-2-thione

MDL Number

MFCD00006196

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 2-Pyridinethiol 1-oxide (CAS: 1121-31-9)?

2-Pyridinethiol 1-oxide (CAS: 1121-31-9) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. It must comply with REACH regulations in the European Union, which require registration for substances above 1 tonne per year. For the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific handling and reporting requirements for chemicals, including documentation of the proper disposal methods.

Are there alternatives to 2-Pyridinethiol 1-oxide (CAS: 1121-31-9) in synthesis?

There are alternative reagents that can be used in the synthesis of compounds similar to 2-Pyridinethiol 1-oxide (CAS: 1121-31-9). For instance, 2-pyridinecarboxaldehyde and thiosemicarbazide can be used as precursors to synthesize other thiosemicarbazones. These alternatives can offer similar functional groups and reactivity profiles, but their selection depends on the specific requirements of the synthetic route.

What is the market or research trend for 2-Pyridinethiol 1-oxide (CAS: 1121-31-9)?

The research trend for 2-Pyridinethiol 1-oxide (CAS: 1121-31-9) is focused on its application in various industries, including pharmaceuticals, where it is used as a precursor for synthesizing antitumor and antibacterial agents. Additionally, there is growing interest in its use as a ligand in coordination chemistry and materials science. Market trends suggest increasing demand due to its potential in developing new therapeutic agents and materials with specific properties.

How should waste containing 2-Pyridinethiol 1-oxide (CAS: 1121-31-9) be handled?

Waste containing 2-Pyridinethiol 1-oxide (CAS: 1121-31-9) should be collected in appropriate containers, labeled as hazardous, and stored in a well-ventilated area away from sources of ignition. Upon disposal, it should be incinerated in an appropriately equipped facility or handled by a professional waste disposal service that specializes in hazardous waste. Proper precautions, such as wearing personal protective equipment, should be taken to prevent skin and eye contact, and spill cleanup should follow local and international regulations to minimize environmental impact.