(S)-2-(Acetylthio)-3-phenylpropanoic acid

Base Information

Chemical Name:(S)-2-(Acetylthio)-3-phenylpropanoic acid
CAS No.:76932-17-7
Molecular Formula:C11H12 O3 S
Molecular Weight:224.28
Hs Code.:2930909090
European Community (EC) Number:430-300-0
DSSTox Substance ID:DTXSID50436471
Nikkaji Number:J1.175.568B
ChEMBL ID:CHEMBL313568
Mol file:76932-17-7.mol

Synonyms:(S)-2-acetylthio-3-phenylpropanoic acid;2-acetylthio-3-phenylpropanoic acid;2-ATPP cpd

Suppliers and Price of (S)-2-(Acetylthio)-3-phenylpropanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(S)-2-Acetylthio-3-phenylpropionicAcid
5g
$ 1540.00

Medical Isotopes, Inc.
(S)-2-Acetylthio-3-phenylpropionicAcid
1 g
$ 860.00

Crysdot
(S)-2-(Acetylthio)-3-phenylpropanoicacid 95+%
5g
$ 928.00

Alichem
(S)-2-(Acetylthio)-3-phenylpropanoicacid
5g
$ 1029.60

Total 11 raw suppliers

Chemical Property of (S)-2-(Acetylthio)-3-phenylpropanoic acid

Chemical Property:

Melting Point:41-43°C
Boiling Point:358.9±35.0 °C(Predicted)
PKA:3.13±0.10(Predicted)
Flash Point:170.875oC
PSA：79.67000
Density:1.260±0.06 g/cm3(Predicted)
LogP:1.96200
Storage Temp.:-20°C Freezer
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate, Methanol
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:224.05071541
Heavy Atom Count:15
Complexity:234

Purity/Quality:

99.9% ^*data from raw suppliers

(S)-2-Acetylthio-3-phenylpropionicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-41-43
Safety Statements: 22-26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)SC(CC1=CC=CC=C1)C(=O)O
Isomeric SMILES:CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)O

Technology Process of (S)-2-(Acetylthio)-3-phenylpropanoic acid

There total 23 articles about (S)-2-(Acetylthio)-3-phenylpropanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%