2-METHYL-2-THIOPSEUDOUREA SULFATE

CAS：2986-19-8
MW:278.37300
MF：C2H6N2S

2-METHYL-2-THIOPSEUDOUREA SULFATE, with the chemical formula C5H12N2O4S and CAS registry number 2986-19-8, is a compound known for its pharmaceutical applications. This white crystalline powder is derived from thiourea and is commonly used as an antithyroid agent. It works by inhibiting the production of thyroid hormones, making it useful in the treatment of hyperthyroidism. 2-METHYL-2-THIOPSEUDOUREA SULFATE has also been studied for its potential anticancer properties, as it has shown inhibitory effects on tumor growth in certain studies. Overall, this compound plays a crucial role in the field of medicine and holds promise for further research and development.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-METHYL-2-THIOPSEUDOUREA SULFATE

1.2 Synonyms: (Methylthio)formamidine; 1-(Methylthio)formamidine; 2-methyisothiourea sulfate; 2-methyl-2-thiopseudourea; 2-METHYL-2-THIOPSEUDOUREA HEMISULFATE SALT; 2-METHYL-2-THIOPSEUDOUREA,HEMISULFATE; 2-methyl-isothiourea; carbamimidothioic acid methyl ester; EINECS 212-759-7; METHYL CARBAMIMIDOTHIOATE, HEMISULFATE; METHYL-ISO-THIOUREA; METHYLISOTHIOUREA SULFATE; methylthiocarboxamidine; MFCD00013055; S-METHYL ISOTHIOUREA (HEMISULFATE); S-methyl-isothiourea; S-METHYLISOTHIOUREA HEMISULFATE SALT; S-METHYLISOTHIOUREA SULFATE SALT; S-METHYL-ITU SULFATE; S-Methylthiourea; SMIT; SMT; SMT SULFATE;

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1.3 CAS No.: 2986-19-8

1.4 CID: 5142

1.5 EINECS: 212-759-7

1.6 Molecular Formula: C2H6N2S

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

1.8 InChkey: SDDKIZNHOCEXTF-UHFFFAOYSA-N

1.9 Canonical Smiles: CSC(=N)N

1.10 Isomers Smiles: CSC(=N)N

2. Properties

2.1 Solubility: H2O: 0.1?g/mL, clear, colorless

2.2 Appearance: almost white to beige fluffy powder

2.3 pKa: 9.66±0.40(Predicted)

2.4 Water Solubility: H2O: 0.1?g/mL, clear, colorless

3. Use and Manufacturing

3.1 Description

2-METHYL-2-THIOPSEUDOUREA SULFATE is a chemical compound with the CAS number 2986-19-8. It appears as a white crystalline solid with no specific odor. The molecular formula of this compound is C3H8N2O3S2. It is sparingly soluble in water. Safety information regarding this compound is not available.

Applicable Fields

There is no information available regarding the applicable fields and mechanism of action of 2-METHYL-2-THIOPSEUDOUREA SULFATE.

Storage

The storage conditions for 2-METHYL-2-THIOPSEUDOUREA SULFATE are not specified.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Synthesis Route

2986-19-8Total: 13 Synthesis Route

66356-40-9

2986-19-8 22 Suppliers

41208-11-1

2986-19-8 22 Suppliers

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6. Precursor and Product

precursor:

186581-53-3

89483-81-8

10191-60-3

17356-08-0

77-78-1

74-93-1

66356-40-9

420-04-2

41208-11-1

62-56-6

product:

44365-56-2

2480-28-6

463-00-3

89487-99-0

352-97-6

31899-46-4

6133-30-8

6659-35-4

34840-23-8

74-79-3

7. Computed Properties

Molecular Weight：278.37300g/mol
Molecular Formula：C₂H₆N₂S
Compound Is Canonicalized：True
Exact Mass：0.2
XLogP3-AA：90.02516937
Monoisotopic Mass：90.02516937
Complexity：42.9
Rotatable Bond Count：1
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：75.2
Heavy Atom Count：：5
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBDAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQQAAAAAAAAAACDAABAAAggAAAAIAAAAgDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8.Other Information

Mesh: Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)