5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

Basic Information

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CAS Number

7271-44-5

Molecular Formula

C3H5N3S

Molecular Weight

115.16 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

SMILES

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CC1=NC(=S)NN1

InChI

InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)

InChIKey

OUZCWDMJTKYHCA-UHFFFAOYSA-N

LogP

0.7757099999999999

Topological Polar Surface Area

44.47 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

128

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A846893
MFCD00461653
3H-1,4-Triazole-3-thione, 1,2-dihydro-5-methyl-
NSC202519
5-methyl-2H-1,2,4-triazole-3-thiol
DTXSID90223009
AC-13689
5-Methyl-1H-1,2,4-triazole-3(2H)-thione
AE-641/30611016
SCHEMBL8021327
3-methyl-5-mercapto-1,2,4-triazole
7271-44-5
AKOS003634407
3-methyl-1H-1,2,4-triazole-5(4H)-thione
5-Methyl-1,2,4-triazole-3-thiol
BB 0259607
3-Methyl-1H(4H)-1,2,4-triazole-5-thione
EN300-25558
SCHEMBL688422
1H-1,2,4-Triazole, 3-thiol-5-methyl-
AB06112
5-methyl-1H-1,2,4-triazole-3-thiol
5-methyl-4H-1,2,4-triazole-3-thiol
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-methyl-
3-mercapto-5-methyl-4h-1,2,4-triazole
NSC166651
5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
NSC 166651
RS-0255
5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
2-Methyl-1,3,4-triazole-5-thiol

MDL Number

MFCD00461653

FAQ

What regulatory guidelines apply to 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5)?

5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) falls under various regulatory guidelines. It should comply with GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. In Europe, it also needs to meet REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) regulations. For FDA and EPA regulations, it is advised to refer to the latest guidelines as it may be regulated based on its intended use. Additionally, appropriate safety data sheets (SDS) should be prepared and maintained.

Are there alternatives to 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) in synthesis?

Several alternatives can be considered for 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) in synthesis. Commonly used analogs include 1,2,4-triazole and thiosemicarbazide. Isomers such as 1H-1,2,4-triazole-3-thione can also be explored. Alternative reagents like thiourea or dithiocarbamates can serve as substitutes. It's important to consider the specific reaction conditions and the desired product characteristics when choosing an alternative.

What is the market or research trend for 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5)?

The market and research trends for 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) are focused on its application in pharmaceuticals, pesticides, and as a building block for organic synthesis. Recent research is exploring its potential in antifungal and anti-inflammatory drug development. Market demand is expected to grow due to the increasing demand for novel chemical intermediates and drug candidates. Pricing trends suggest steady demand supported by these emerging applications.

How should waste containing 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) be handled?

Waste containing 5-Methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 7271-44-5) should be handled carefully to prevent environmental contamination. Collect waste liquids in appropriate containers and store them in a well-ventilated area away from incompatible materials. Incineration is a suitable method for disposal, provided it is conducted in an approved facility. For professional waste disposal, contact a licensed hazardous waste management company. Always follow local environmental protection regulations and guidelines to ensure proper disposal.