2-[(Acetylthio)methyl]-phenylpropionicacid
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![2-[(Acetylthio)methyl]-phenylpropionicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21f116984038487c9f7ba121b5ec6169.png "2-[(Acetylthio)methyl]-phenylpropionicacid")
2-[(Acetylthio)methyl]-phenylpropionicacid
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CAS No:
91702-98-6
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Formula:
C12H14O3S
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Chemical Name:
2-[(Acetylthio)methyl]-phenylpropionicacid
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Synonyms:
3-(Acetylsulphanyl)-2-benzylpropanoic acid;α-[(Acetylthio)Methyl]benzenepropanoic Acid;a-[(Acetylthio)methyl]benzenepropanoic Acid;2-[(ACETYLETHIO)METHYL]PHENYLPROPIONIC ACID;2-[(Acetylthio)methyl]-phenylpropionic acid;2-(Acetylthiomethyl)-3-phenylpropionic Acid;2-[(ACETYLTHIO)METHYL]-3-PHENYLPROPIONIC ACIDE;2-[(Acetylthio)methyl]-3-phenylpropanoic acid 96%;2-[(Acetylsulfanyl)methyl]-3-phenylpropionic Acid
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Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-[(Acetylthio)methyl]-phenylpropionicacid Use and Manufacturing
16.2 g of 2-benzylacrylic acid and 12.3 ml of thioacetic acid were were charged into a clean and dry R.B.flask and stirred at about 30°C for about 1 hour. The reaction mixture was heated to about 60°C and stirred for about 4 hours.The excess of thioacetic acid was distilled off completely to afford the title compound as residue. Yield: 23.8 g
Racecadotril intermediate. A β-thiopropionyl-amino acid derivative used as β-lactamase inhibitor.
Computed Properties
Molecular Weight:238.30
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:238.06636548
Monoisotopic Mass:238.06636548
Topological Polar Surface Area:79.7
Heavy Atom Count:16
Complexity:247
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-[(Acetylthio)methyl]-phenylpropionicacid
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Business licensed Certified factoryManufactory Supplier of Terbinafine hydrochloride,Carboplatin,Pramipexole dihydrochloride Monohydrate,Cisatracurium Besylate,Rivaroxaban,Lenvatinib,Febuxostat,Pemetrexed,Capecitabine,Oxaliplatin,Cisplatin,Ezetimibe,Mitiglinide Calcium,Lapatinib,Dasatinib,Osimertinib,Olaparib,Palbociclib,Lenalidomide,Bortezomib,Enzalutamide,Pemetrexed disodium heptahydrate,Ropivacaine HCL,Atracurium Besylate,Racecadotril,Apremilast,Vonoprazan Fumarate,Crisaborole,RimegepantInquiryCAS No.: 91702-98-6Grade: Pharmaceutical GradeContent: 99%
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2-[(Acetylthio)methyl]-phenylpropionicacid
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