5-(Methylsulfanyl)-2H-tetrazole

Basic Information

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CAS Number

29515-99-9

Molecular Formula

C2H4N4S

Molecular Weight

116.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

149-152 °C

Boiling Point

293.8 °C at 760 mmHg

Density

1.48

Flash Point

131.5 °C

Refractive Index

1.599

SMILES

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CSC1=NNN=N1

InChI

InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)

InChIKey

ZBXNFTFKKOSPLD-UHFFFAOYSA-N

LogP

-0.07840000000000008

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

57.7

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID20183708
F17102
SCHEMBL18515368
5-Thiomethyltetrazole
methylthiotetrazole
29515-99-9
FT-0608072
ZBXNFTFKKOSPLD-UHFFFAOYSA-N
A819945
NSC 141852
J-017552
MFCD00068726
AKOS015852445
NSC141852
Q63396453
5-Methylthio-1H-Tetrazole
NSC-141852
1H-Tetrazole, 5-(methylthio)-
5-(Methylthio)-1H-tetrazole
5-METHYLMERCAPTOTETRAZOLE
Z821307136
2H-Tetrazole, 5-(methylthio)-
AS-60022
EN300-1696042
5-(methylsulfanyl)-2H-1,2,3,4-tetrazole
AC-8305
5-(Methylthio)-1H-tetrazole, 97%
SCHEMBL21846
5-Methylthiotetrazole
AKOS037645305
5-methylsulfanyl-2H-tetrazole

MDL Number

MFCD00068726

Customs Code

2933990090

FAQ

What is 5-(Methylsulfanyl)-2H-tetrazole (CAS: 29515-99-9)?

5-(Methylsulfanyl)-2H-tetrazole is an organic compound with the CAS number 29515-99-9. It has the chemical formula C4H6N4S and is characterized by its stability and reactivity, particularly in nucleophilic substitution reactions.

What are the main uses of 5-(Methylsulfanyl)-2H-tetrazole (CAS: 29515-99-9)?

5-(Methylsulfanyl)-2H-tetrazole is primarily used as a reagent in organic synthesis, particularly in the preparation of other tetrazole derivatives. It also finds applications in the pharmaceutical industry for the synthesis of certain medicinal compounds.

Is 5-(Methylsulfanyl)-2H-tetrazole (CAS: 29515-99-9) safe?

5-(Methylsulfanyl)-2H-tetrazole is generally considered safe when handled with appropriate precautions. However, it is important to follow all safety guidelines, including wearing protective equipment and ensuring proper ventilation during use.

How should 5-(Methylsulfanyl)-2H-tetrazole (CAS: 29515-99-9) be stored?

5-(Methylsulfanyl)-2H-tetrazole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air, and should be stored at room temperature (15-25°C) to maintain its stability.