Methyl thioglycolate

• CAS: 2365-48-2
• Catalog Number: ACM2365482
• Category: Other Products
• Molecular Weight: 106.139g/mol
• Molecular Formula: C3H6O2S
• Synonyms: RP18865; methyl-2-mercaptoacetate; Methyl sulfanylacetate #; mercapto-acetic acid methylester; NSC-75117; 2365-48-2; MCULE-3020830180; Acetic acid, 2-mercapto-, methyl ester; TRA0039347; Thioglykolsaeure-methylester
• IUPAC Name: methyl 2-sulfanylacetate
• Canonical SMILES: COC(=O)CS
• InChI: InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
• InChI Key: MKIJJIMOAABWGF-UHFFFAOYSA-N
• Application: Methyl Thioglycolate is an derivative of Thioglycolic Acid (T350760), an organic compound containing both a thiol and a carboxylic acid functional groups. Thioglycolic Acid and its derivatives are often used in organic synthesis as a nucleophile in thioglycolysis reactions and is also used as a S transfer agent for sulfonyl chloride synthesis. Methyl Thioglycolate have been studied for the its influence on neocarzinostatin activation and expression of DNA damage.
• Storage: Store below +30°C.
• Complexity: 52.8
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits toxic fumes of sulfoxides.
• EC Number: 219-121-7
• Exact Mass: 106.009g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 6
• Monoisotopic Mass: 106.009g/mol
• NSC Number: 75117
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 27.3A^2
• Undefined Atom Stereocenter Count: 1
• UNII: O1608LA9EL
• Vapor Pressure: 3.00 mmHg

Custom Q&A

What is the molecular formula of Methyl thioglycolate?

The molecular formula of Methyl thioglycolate is C3H6O2S.

What is the molecular weight of Methyl thioglycolate?

The molecular weight of Methyl thioglycolate is 106.15 g/mol.

What is the IUPAC name of Methyl thioglycolate?

The IUPAC name of Methyl thioglycolate is methyl 2-sulfanylacetate.

What is the InChIKey of Methyl thioglycolate?

The InChIKey of Methyl thioglycolate is MKIJJIMOAABWGF-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Methyl thioglycolate have?

Methyl thioglycolate has 1 hydrogen bond donor count.

What is the topological polar surface area of Methyl thioglycolate?

The topological polar surface area of Methyl thioglycolate is 27.3 Ų.

What is the formal charge of Methyl thioglycolate?

The formal charge of Methyl thioglycolate is 0.

How many defined bond stereocenter counts does Methyl thioglycolate have?

Methyl thioglycolate has 0 defined bond stereocenter counts.

What is the Monoisotopic Mass of Methyl thioglycolate?

The Monoisotopic Mass of Methyl thioglycolate is 106.00885060 g/mol.

What is the complexity value of Methyl thioglycolate?

The complexity value of Methyl thioglycolate is 52.8.