4-Mercaptophenylacetic acid

• CAS: 39161-84-7
• Catalog Number: ACM39161847
• Category: Other Products
• Molecular Weight: 168.21
• Molecular Formula: C₈H₈O₂S
• Synonyms: 4-MERCAPTOBENZENEACETATE;4-MERCAPTOPHENYLACETIC ACID;4-Mercaptophenylacetic acid 97%
• Melting Point: 105-109°C(lit.)
• Hazard Statements: Xi
• Safety Description: 26-36/37/39
• Supplemental Hazard Statements: H319-H315-H318-H335
• Symbol: GHS05,GHS07

Custom Q&A

What is the molecular formula of 4-Mercaptophenylacetic acid?

The molecular formula of 4-Mercaptophenylacetic acid is C8H8O2S.

When was 4-Mercaptophenylacetic acid created in PubChem?

4-Mercaptophenylacetic acid was created in PubChem on September 8, 2005.

What is the molecular weight of 4-Mercaptophenylacetic acid?

The molecular weight of 4-Mercaptophenylacetic acid is 168.21 g/mol.

What are some synonyms for 4-Mercaptophenylacetic acid?

Some synonyms for 4-Mercaptophenylacetic acid include 2-(4-mercaptophenyl)acetic acid, and Benzeneacetic acid, 4-mercapto.

What is the InChIKey of 4-Mercaptophenylacetic acid?

The InChIKey of 4-Mercaptophenylacetic acid is ORXSLDYRYTVAPC-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Mercaptophenylacetic acid?

There are 2 hydrogen bond donor counts in 4-Mercaptophenylacetic acid.

What is the topological polar surface area of 4-Mercaptophenylacetic acid?

The topological polar surface area of 4-Mercaptophenylacetic acid is 38.3 Ų.

How many rotatable bond counts are there in 4-Mercaptophenylacetic acid?

There are 2 rotatable bond counts in 4-Mercaptophenylacetic acid.

What is the exact mass of 4-Mercaptophenylacetic acid?

The exact mass of 4-Mercaptophenylacetic acid is 168.02450067 g/mol.

How many covalently-bonded unit counts are there in 4-Mercaptophenylacetic acid?

There is 1 covalently-bonded unit count in 4-Mercaptophenylacetic acid.

Synthetic Use

Downstream Synthesis Route 1

• 39161-84-7

• 383135-47-5

Reference: [1] Patent: WO2012/27965, 2012, A1,

Downstream Synthesis Route 2

• 39161-84-7

• 5325-76-8

Reference: [1]Adam, Julia M.; Bennett, D. Jonathan; Bom, Anton; Clark, John K.; Feilden, Helen; Hutchinson, Edward J.; Palin, Ronald; Prosser, Alan; Rees, David C.; Rosair, Georgina M.; Stevenson, Donald; Tarver, Gary J.; Zhang, Ming-Qiang
[Journal of Medicinal Chemistry, 2002, vol. 45, # 9, p. 1806 - 1816]

Downstream Synthesis Route 3

• 39161-84-7
• 76-83-5

• 883566-52-7

Reference: [1]Gough, Jonathan D.; Williams Jr., Rhondye H.; Donofrio, Anthony E.; Lees, Watson J.
[Journal of the American Chemical Society, 2002, vol. 124, # 15, p. 3885 - 3892]
[2]Schlippert, Max; Mikolasch, Annett; Hahn, Veronika; Schauer, Frieder
[Journal of Molecular Catalysis B: Enzymatic, 2016, vol. 126, p. 106 - 114]
[3]Le Quéméner, Frédéric; Subervie, Daniel; Morlet-Savary, Fabrice; Lalevée, Jacques; Lansalot, Muriel; Bourgeat-Lami, Elodie; Lacôte, Emmanuel
[Angewandte Chemie - International Edition, 2018, vol. 57, # 4, p. 957 - 961][Angew. Chem., 2018, vol. 130, # 4, p. 969 - 973,5]
[4]Li, Dadong; Wang, Xiaojian; Shi, Fubo; Sha, Ruojie; Seeman, Nadrian C.; Canary, James W.
[Organic and Biomolecular Chemistry, 2014, vol. 12, # 44, p. 8823 - 8827]
[5]Current Patent Assignee: ZATA PHARMACEUTICALS - WO2020/23881, 2020, A1
Location in patent: Paragraph 0221-0224

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