2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID

Modify Date: 2026-07-29 15:34:57

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure
2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID structure
Common Name 2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID
CAS Number 57359-76-9 Molecular Weight 224.27600
Density 1.261g/cm3 Boiling Point 358.93ºC at 760 mmHg
Molecular Formula C11H12O3S Melting Point N/A
MSDS N/A Flash Point 170.875ºC

 Names

Name (2R)-2-acetylsulfanyl-3-phenylpropanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.261g/cm3
Boiling Point 358.93ºC at 760 mmHg
Molecular Formula C11H12O3S
Molecular Weight 224.27600
Flash Point 170.875ºC
Exact Mass 224.05100
PSA 79.67000
LogP 1.96200
Index of Refraction 1.581
InChIKey UOVSNFYJYANSNI-SNVBAGLBSA-N
SMILES CC(=O)SC(Cc1ccccc1)C(=O)O

 Synthetic Route

~94%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: BIOMEP INC. Patent: WO2004/50620 A2, 2004 ; Location in patent: Page 38-39 ;

~10%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Coric, Pascale; Turcaud, Serge; Meudal, Herve; Roques, Bernard Pierre; Fournie-Zaluski, Marie-Claude Journal of Medicinal Chemistry, 1996 , vol. 39, # 6 p. 1210 - 1219

~91%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Spaltenstein; Leban; Furfine Tetrahedron Letters, 1993 , vol. 34, # 9 p. 1457 - 1460

~44%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Strijtveen, Bert; Kellog, Richard M. Recueil des Travaux Chimiques des Pays-Bas, 1987 , vol. 106, # 10 p. 539 - 542

~%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Journal of Medicinal Chemistry, , vol. 39, # 6 p. 1210 - 1219

~%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 9, # 17 p. 2549 - 2554

~%

2(R)-ACETYLTHIO-BENZENEPROPANOIC ACID Structure

2(R)-ACETYLTHIO...

CAS#:57359-76-9

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Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 11 p. 2853 - 2861

 2(R)-ACETYLTHIO-BENZENEPROPANOIC ACIDBioassay

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Name: Inhibitory activity against IMP-1 metallo-beta-lactamase (MBL)
Source: ChEMBL
Target: N/A
External Id: CHEMBL699977
Name: Inhibition of Pseudomonas aeruginosa IMP1 metallo-beta-lactamase
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL3076630
Name: Inhibitory activity against CCRA (Bacteroides fragilis) metallo-beta-lactamase
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL875554
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1

 Synonyms

D-2-Thioacetyl-3-phenylpropionic Acid
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