1-Phenyl-1H-tetrazole-5-thiol

Basic Information

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CAS Number

86-93-1

Molecular Formula

C7H6N4S

Molecular Weight

178.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

145 ºC

Boiling Point

342°C (rough estimate)

Density

1.3046 (rough estimate)

Water Solubility

Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.

Flash Point

138°C

Solubility

ethanol: soluble5%, clear, colorless to faintly yellow

Refractive Index

1.5500 (estimate)

SMILES

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Sc1nnnn1c2ccccc2

InChI

InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)

InChIKey

GGZHVNZHFYCSEV-UHFFFAOYSA-N

LogP

0.9510000000000001

Topological Polar Surface Area

43.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

210

Safety Information

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Hazard Statement

H228 Flammable solid
Flammable solids

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 4.1 Class 4.1

Sensitiveness

Air Sensitive

Synonyms & References

English

1-Phenyl-1H-tetrazole-5-thiol
PMT
1-Phenyl-5-mercaptotetrazole
5-Mercapto-1-phenyltetrazole
Phenyltetrazolethiol
5-Mercapto-1-phenyl-1H-tetrazole
1-Phenyl-5-merkapto-1H-tetrazole
1-Phenyl-5-mercapto-1H-tetrazole
1-Phenyl-1H-1,2,3,4-tetrazole-5-thiol
1-PHENYL-1H-1,2,3,4-TETRAAZOLE-5-THIOL
1-Phenyl-5-mercapto-1,2,3,4-tetrazole
1-Phenyl-5-thio-1H-tetrazole
1-Phenyltetrazole-5-thiol
1-Phenyl-5-mercapto
1-phenyl-5-sulfanyltetrazole
1-Phenyltetrazol-5-thiol
1-Phenyltetrazole-5
1-Phenyltetrazolethiol
5-mercapto-1-phenyl-1,2,3,4-tetrazole
Mercaptophenyltetrazole
Phenylmercaptotetrazole
1-Phenyltetrazoline-5-thione
1-Phenyl-5-tetrazolethione
5-Mercapto-1-phenyltetrazol
1-Phenyltetrazole-thiol
1-phenyl-2H-tetrazole-5-thione
1H-Tetrazole-5-thiol, 1-phenyl-
2-Tetrazoline-5-thione, 1-phenyl-
5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-
5-Mercapto-1-phenyl-1,2,3,4-tetrazole

MDL Number

MFCD00003129

Customs Code

29339990

FAQ

What is 1-Phenyl-1H-tetrazole-5-thiol (CAS: 86-93-1)?

1-Phenyl-1H-tetrazole-5-thiol is a sulfur-containing heterocyclic compound with the chemical formula C8H7N3S. It is characterized by a tetrazole ring fused with a thiophene ring, and it exhibits strong sulfur and nitrogen functionalities. This compound is known for its reactivity and is commonly used in chemical synthesis due to its unique structural properties and potential for forming various derivatives.

What are the main uses of 1-Phenyl-1H-tetrazole-5-thiol (CAS: 86-93-1)?

1-Phenyl-1H-tetrazole-5-thiol is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, materials science, and as a precursor for functionalized compounds. Its versatility makes it valuable in both industrial and academic settings, particularly in the creation of bioactive molecules and chemical intermediates.

Is 1-Phenyl-1H-tetrazole-5-thiol (CAS: 86-93-1) safe?

1-Phenyl-1H-tetrazole-5-thiol is generally considered safe when handled properly. However, it can be toxic if inhaled or ingested, so appropriate safety measures such as gloves, goggles, and a fume hood are recommended. It is important to follow standard chemical safety protocols and consult safety data sheets for detailed handling and exposure information.

How should 1-Phenyl-1H-tetrazole-5-thiol (CAS: 86-93-1) be stored?

1-Phenyl-1H-tetrazole-5-thiol should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or polyethylene to prevent degradation. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.