5-(Benzylsulfanyl)-1H-tetrazole

Basic Information

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CAS Number

21871-47-6

Molecular Formula

C8H8N4S

Molecular Weight

192.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

133°C

Flash Point

2 °C

Refractive Index

n20/D 1.354

SMILES

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C1=CC=C(C=C1)CSC2=NNN=N2

InChI

InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)

InChIKey

GXGKKIPUFAHZIZ-UHFFFAOYSA-N

LogP

1.4919999999999993

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

149

Safety Information

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GHS Hazard Pictograms

H225

H302

H312

H318

H332

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H318 Causes serious eye damage
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

5-Benzylthio-1H-tetrazole
5-[(Phenylmethyl)Thio]-1H-Tetrazole
D88976
5-(benzylsulfanyl)-2H-1,2,3,4-tetrazole
SCHEMBL22170
BTT Activator, 0.3 M
5-(Benzylthio)-1H-tetrazole, >=99.0% (HPLC)
B3020
GXGKKIPUFAHZIZ-UHFFFAOYSA-N
5-Benzylthio-1H-tetrazole (BTT)
0.30 M Hyacinth BMT solution BMT in anhydrous Acetonitrile, NC-0103 emp Biotech GmbH
BTT Activator, 0.3M, configured for (??KTA(R) and OligoPilot(R))
AKOS015888142
5-Benzylthio-1H- Tetrazole
CS-0017811
DTXSID60314332
NS00121787
NSC 282041
1H-Tetrazole, 5-[(phenylmethyl)thio]-
FT-0638158
5-(Benzylthio)-1H-tetrazole
J-670011
5-benzylsulfanyl-2H-tetrazole
AS-12388
J-801010
21871-47-6
NSC-282041
A815721
5-(Benzylthio)-1H-tetrazolesolution
J-516761
MFCD00068731

MDL Number

MFCD00068731

Customs Code

2933990090

FAQ

What is 5-(Benzylsulfanyl)-1H-tetrazole (CAS: 21871-47-6)?

5-(Benzylsulfanyl)-1H-tetrazole is a heterocyclic organic compound with the chemical formula C9H9N5S. It contains a tetrazole ring substituted with a benzylsulfanyl group, making it a versatile intermediate in chemical synthesis. The compound is known for its stability and reactivity, often used in the development of pharmaceuticals and agrochemicals.

What are the main uses of 5-(Benzylsulfanyl)-1H-tetrazole (CAS: 21871-47-6)?

5-(Benzylsulfanyl)-1H-tetrazole is widely used in pharmaceutical research for the synthesis of drugs targeting various diseases. It also finds applications in the production of pesticides and dyes. Due to its chemical versatility, it is a valuable compound in organic chemistry for creating functional derivatives and exploring new chemical pathways.

Is 5-(Benzylsulfanyl)-1H-tetrazole (CAS: 21871-47-6) safe?

5-(Benzylsulfanyl)-1H-tetrazole is generally considered safe when handled properly. However, it should be treated with caution as it may cause irritation to the skin and eyes. Safety data sheets recommend using appropriate personal protective equipment and ensuring good ventilation during handling. It is important to follow safety guidelines to minimize risks in laboratory and industrial settings.

How should 5-(Benzylsulfanyl)-1H-tetrazole (CAS: 21871-47-6) be stored?

5-(Benzylsulfanyl)-1H-tetrazole should be stored in a cool, dry, and dark place, away from moisture and incompatible substances. It is typically kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prolong shelf life, ensuring it remains effective for use in research and industrial applications.