1-Methylthiourea

Basic Information

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CAS Number

598-52-7

Molecular Formula

C2H6N2S

Molecular Weight

90.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

120.0 to 123.0 deg-C

Boiling Point

141.1 °C at 760 mmHg

Flash Point

39.1 °C

Refractive Index

1.5300 (estimate)

SMILES

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CNC(=S)N

InChI

InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey

KQJQICVXLJTWQD-UHFFFAOYSA-N

LogP

-0.5506

Topological Polar Surface Area

38.05 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

42.9

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD00004938
Thiourea, methyl-
Methyl-2-thiourea
DTXSID90208533
598-52-7
N-METHYLTHIOUREA
Thourea, methyl-
Methyl thiourea
M0619
InChI=1/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5
N-methyl-thiourea
A832505
methyl-thiourea
AI3-52471
FT-0647492
Methylthiocarbamide
CHEMBL4475870
QuadraPure(R) TU, macroporous, 400-600 mum particle size
Methylthiourea
CS-W011347
WLN: SUYZM1
DS-2268
2-Chloro-6-methoxyquinoline-3-carbaldehydeoxime
1-Methyl-2-thiourea
NSC-30213
1-Methylthiourea
N-Methylthiocarbamide
N-methyl thiourea
Thiourea, N-methyl-
Pseudourea, 1-methyl-2-thio-
methylisothiourea

MDL Number

MFCD00004938

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 1-Methylthiourea (CAS: 598-52-7)?

1-Methylthiourea (CAS: 598-52-7) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazardous substance classification. It falls under the European Union's Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) regulation and is regulated by the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) for its handling and use. It is important to follow specific safety data sheets (SDS) and regulatory guidelines for proper handling and disposal.

Are there alternatives to 1-Methylthiourea (CAS: 598-52-7) in synthesis?

For synthesis, alternatives to 1-Methylthiourea (CAS: 598-52-7) include compounds like methyl isothiourea and other thiourea derivatives, which can serve similar purposes in some reactions. Isomers and analogs such as 2-Methylthiourea may also be considered based on the specific application and requirements of the synthesis process.

What is the market or research trend for 1-Methylthiourea (CAS: 598-52-7)?

The market for 1-Methylthiourea (CAS: 598-52-7) is driven by its use in pharmaceuticals, pesticides, and as a reagent in organic synthesis. Research trends are focused on its application in novel drug discovery and its potential in agrochemicals. There is ongoing exploration into its environmental and toxicological impacts, influencing market and regulatory trends.

How should waste containing 1-Methylthiourea (CAS: 598-52-7) be handled?

Waste containing 1-Methylthiourea (CAS: 598-52-7) should be collected in appropriate containers and stored under safe conditions to prevent spillage. It should be handled according to local and international regulations. For disposal, options include incineration, professional waste disposal services, or chemical treatment. Environmental protection precautions include ensuring no contamination of water bodies and air, and adhering to all relevant safety protocols.