Methyl 3-mercaptopropionate

• CAS: 2935-90-2
• Catalog Number: ACM2935902
• Category: Biomaterials
• Molecular Weight: 120.17g/mol
• Molecular Formula: C4H8O2S
• Description: Liquid
• Synonyms: METHYL 3-MERCAPTOPROPANOATE;METHYL 3-MERCAPTOPROPIONATE;3-MERCAPTOPROPIONIC ACID METHYL ESTER;3-mercapto-propanoicacimethylester;3-mercapto-propionicacimethylester;Methyl 3-sulfanylpropanoate;Methyl beta-mercaptopropionate;Methyl mercaptopropionate
• IUPAC Name: methyl 3-sulfanylpropanoate
• SMILES: COC(=O)CCS
• InChI: InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
• InChI Key: LDTLDBDUBGAEDT-UHFFFAOYSA-N
• Boiling Point: 166.0 °C
• Complexity: 62.7
• Covalently-Bonded Unit Count: 1
• EC Number: 220-912-4
• Exact Mass: 120.024501g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 7
• Monoisotopic Mass: 120.024501g/mol
• NSC Number: 137814
• Rotatable Bond Count: 3
• UNII: V920F0BCRZ
• XLogP3: 0.3

Custom Q&A

What is the molecular formula of Methyl 3-mercaptopropionate?

The molecular formula of Methyl 3-mercaptopropionate is C4H8O2S.

What is the molecular weight of Methyl 3-mercaptopropionate?

The molecular weight of Methyl 3-mercaptopropionate is 120.17 g/mol.

What is the IUPAC name of Methyl 3-mercaptopropionate?

The IUPAC name of Methyl 3-mercaptopropionate is methyl 3-sulfanylpropanoate.

What is the InChI of Methyl 3-mercaptopropionate?

The InChI of Methyl 3-mercaptopropionate is InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3.

What is the InChIKey of Methyl 3-mercaptopropionate?

The InChIKey of Methyl 3-mercaptopropionate is LDTLDBDUBGAEDT-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 3-mercaptopropionate?

The canonical SMILES of Methyl 3-mercaptopropionate is COC(=O)CCS.

What is the CAS number of Methyl 3-mercaptopropionate?

The CAS number of Methyl 3-mercaptopropionate is 2935-90-2.

How many hydrogen bond donor counts does Methyl 3-mercaptopropionate have?

Methyl 3-mercaptopropionate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Methyl 3-mercaptopropionate have?

Methyl 3-mercaptopropionate has 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 67-56-1
• 107-96-0

• 2935-90-2

Reference: [1] Patent: US2005/49234, 2005, A1, . Location in patent: Page/Page column 6

Downstream Synthesis Route 1

• 151-56-4
• 2935-90-2

• 2896-98-2

Reference: [1] Chemische Berichte, 1963, vol. 96, p. 88 - 92

Downstream Synthesis Route 2

• 2935-90-2
• 292638-85-8

• 4160-61-6

Reference: [1] Canadian Journal of Chemistry, 1982, vol. 60, p. 437 - 439
[2] Patent: WO2009/61131, 2009, A2, . Location in patent: Page/Page column 65
[3] Tetrahedron Letters, 1989, vol. 30, # 45, p. 6129 - 6132

Downstream Synthesis Route 3

• 151-56-4
• 2935-90-2

• 2896-98-2

Reference: [1]Chemische Berichte,1963,vol. 96,p. 88 - 92

Downstream Synthesis Route 4

• 2935-90-2
• 939-69-5

• 66069-76-9

Reference: [1]Journal of Organic Chemistry,1978,vol. 43,p. 2366 - 2369

* For details of the synthesis route, please refer to the original source to ensure accuracy.