5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine

Basic Information

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CAS Number

45534-08-5

Molecular Formula

C3H6N4S

Molecular Weight

130.18 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

Basic Physical Properties

Melting Point

134.0 to 139.0 deg-C

Water Solubility

very faint turbidity

Flash Point

191.9 °C

Refractive Index

1.5605 (estimate)

SMILES

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CSC1=NNC(=N1)N

InChI

InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)

InChIKey

XGWWZKBCQLBJNH-UHFFFAOYSA-N

LogP

0.10879999999999995

Topological Polar Surface Area

67.59 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

77.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1H-1,2,4-Triazol-3-amine,5-(methylthio)-
NS00031548
5-(Methylsulfanyl)-1H-1,2,4-triazol-3-ylamine #
EINECS 256-242-4
5-(methylthio)-4H-1,2,4-triazol-3-amine
5-Methylsulfanyl-1H-[1,2,4]triazol-3-ylamine
InChI=1/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7
AKOS002681466
1H-1,2,4-Triazol-3-amine, 5-(methylthio)-
F10435
CS-0063193
5-Methylsulfanyl-2H-[1,2,4]triazol-3-ylamine
SCHEMBL757019
5-Methylthio-1H-1,2,4-triazol-3-ylamine
DTXSID2068476
NSC 178858
3-(Methylthio)-1H-1 pound not2 pound not4-triazol-5-amine
3-methylsulfanyl-1H-1,2,4-triazol-5-amine
BP-10580
5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine
AKOS000313132
MFCD02090608
FT-0614995
3-AMINO-5-METHYLSULFANYL-1,2,4-TRIAZOLE
3-AMINO-5-METHYLMERCAPTO-1H-1,2,4-TRIAZOLE
AKOS002359951
3-methylthio-5-amino-1H-1,2,4-triazole
1H-1,4-Triazol-3-amine, 5-(methylthio)-
MB00152
3-(methylthio)-1,2,4-triazol-5-amine
3-AMINO-5-METHYLTHIO-1H-1,2,4-TRIAZOL

MDL Number

MFCD00005232

Customs Code

2933990090

FAQ

What is 5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine (CAS: 45534-08-5)?

5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine is a chemical compound with the CAS number 45534-08-5. It is a heterocyclic amine with a triazole ring and a methylsulfanyl substituent. This compound is typically a white or off-white solid with a molecular formula of C4H6N4S and a molecular weight of 126.17 g/mol.

What are the main uses of 5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine (CAS: 45534-08-5)?

5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine is primarily used in the pharmaceutical industry as a precursor or intermediate for the synthesis of various drugs. It also finds applications in the synthesis of heterocyclic compounds, as a reagent in organic chemistry, and in some industrial and research settings.

Is 5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine (CAS: 45534-08-5) safe?

5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine is generally considered safe for laboratory use when appropriate safety measures are followed. It is important to handle this compound with care, as it may cause skin irritation. Proper protective equipment, such as gloves and safety goggles, should be worn during handling. Avoid inhaling dust or fumes and ensure proper ventilation.

How should 5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine (CAS: 45534-08-5) be stored?

5-(Methylsulfanyl)-1H-1,2,4-triazol-3-amine should be stored in a cool, dry place, away from direct sunlight and sources of heat. It is best kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be below 25°C (77°F) to maintain its stability. Keep the compound away from incompatible materials such as acids, strong oxidizers, and halogens.