2-METHYL-2-THIOPSEUDOUREA SULFATE
- Iupac Name：methyl carbamimidothioate;hydrobromide
- CAS No.: 2986-19-8
- Molecular Weight：278.37300
- Modify Date.: 2022-11-29 10:14
- Introduction:
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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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(EC#)
- 212-759-7
- 1.6 Molecular Formula
- C2H6N2S (isomer)
- 1.7 Inchi
- InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
- 1.8 InChIkey
- SDDKIZNHOCEXTF-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CSC(=N)N
- 1.10 Isomers Smiles
- CSC(=N)N
2. Properties
- 2.1 Density
- 1.26g/cm3
- 2.1 Melting point
- 240-241ºC (dec.)(lit.)
- 2.1 Boiling point
- 138.8ºC at 760mmHg
- 2.1 Flash Point
- 37.7ºC
- 2.1 Precise Quality
- 278.01800
- 2.1 PSA
- 75.17000
- 2.1 logP
- 2.51380
- 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. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Risk Statements
- R22
- 3.1 Safety Statements
- S22; S24/25
- 3.1 Hazard Declaration
- H302
- 3.1 RIDADR
- UN 2811
- 3.1 Caution Statement
- P264, P270, P301+P312, P330, P501
- 3.1 WGK Germany
- 3
- 3.1 RTECS
- UM9200000
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
5. Synthesis Route
2986-19-8Total: 13 Synthesis Route
6. Other Information
- 6.0 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.)
- 6.1 Mesh Entry Terms
- 2-methyl-2-pseudothiourea
- 6.2 Manufacturing Info
- Carbamimidothioic acid, methyl ester, sulfate (2:1): INACTIVE
7. Computational chemical data
- Molecular Weight: 278.37300g/mol
- Molecular Formula: C2H6N2S
- Compound Is Canonicalized: True
- XLogP3-AA: 0.2
- Exact Mass: 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. Recommended Suppliers
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- Products:lab reagents, intermediates, bulk commodities, agro-chemicals, natural ingredients and active pharmaceutical ingredients (APIs)
- Tel:852-852-81916999
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9. Realated Product Infomation
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