5-Methyl-1,3,4-thiadiazole-2(3H)-thione

Basic Information

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CAS Number

29490-19-5

Molecular Formula

C3H4N2S2

Molecular Weight

132.21 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

188-189 °C

Boiling Point

182.9°C at 760 mmHg

Water Solubility

2 g/100 mL

Solubility

chloroform: soluble10mg/mL, clear to very slightly hazy, colorless

Refractive Index

1.5500 (estimate)

SMILES

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CC1=NNC(=S)S1

InChI

InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

InChIKey

FPVUWZFFEGYCGB-UHFFFAOYSA-N

LogP

1.13522

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

129

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

29490-19-5
5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
2-mercapto-5-methyl -1,3,4-thiadiazole
DTXSID90183694
9JY8UF0TSS
W-106986
F9995-0046
M0976
5-Methyl-1,3,4-thiadiazol-2-thiol (MMTD)
PS-6247
CEFAZOLIN SODIUM IMPURITY E [EP IMPURITY]
EINECS 249-667-1
5-Methyl-1,3,4-thiadiazole-2-thiol, 99%
5-mercapto-2-methyl-1,3,4-thiadiazole
METHYLTHIADIAZOLE THIOL
AM90361
2-Methyl-5-thio-1,3,4-thiadiazole
AKOS003677653
MFCD00038349
C3H4N2S2
EN300-20981
5-methyl-2-mercapto,1,3,4-thiadiazole
5-Methyl-1,3,4-thiadiazole-2(3H)-thione
AI3-62194
A819935
5-methyl-3H-1,3,4-thiadiazole-2-thione
5-methyl-1,3,4-thiadiazolyl-2-thiol
5-methyl-1, 3,4-thiadiazole-2-thiol
5-Methyl-1,3,4-thiadiazole-2-thiol
InChI=1/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6
AC-13309

MDL Number

MFCD00038349

Customs Code

2934999090

FAQ

What is 5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5)?

5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) is a heterocyclic organic compound containing a thiadiazole ring with a methyl group at position 5 and a thione functional group at position 2. Its chemical formula is C3H4NOS2. The compound is known for its sulfur-containing ring structure, which imparts reactivity and utility in various chemical applications. It exhibits moderate solubility in polar solvents and is commonly used as an intermediate in synthetic chemistry.

What are the main uses of 5-Methyl-1,3,4-thiadicazole-2(3H)-thione (CAS: 29490-19-5)?

5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) is primarily used in pharmaceuticals as a key intermediate for synthesizing antifungal and antiviral drugs. It also serves in industrial applications, such as pesticide formulations, and in research for developing new materials or chemical derivatives. Additionally, it may be employed in agricultural chemicals and as a building block for heterocyclic compounds in organic synthesis.

Is 5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) safe?

5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) requires careful handling due to potential toxicity. Exposure may cause skin or respiratory irritation, and ingestion can be harmful. Safety measures include using personal protective equipment (PPE), ensuring proper ventilation, and following OSHA guidelines. It is classified as a hazardous chemical, so adherence to safety protocols and regulatory standards is essential during storage and use.

How should 5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) be stored?

5-Methyl-1,3,4-thiadiazole-2(3H)-thione (CAS: 29490-19-5) should be stored in a sealed, airtight container in a cool, dry place away from light. It is sensitive to moisture and air, so maintaining low humidity and stable temperatures (ideally 2-8°C) is critical. Avoid exposure to incompatible substances, and ensure storage in a well-ventilated area to preserve stability and safety.