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CAS Number: 91702-98-6
3-(acetylthio)-2-benzylpropanoic acid

Structure

3-(acetylthio)-2-benzylpropanoic acid
Name: 3-(acetylthio)-2-benzylpropanoic acid
Synonyms:
General Information
Product Number: 91702986

CAS Registry Number 91702-98-6
Name:
Benzenepropanoic acid, α-​[(acetylthio)​methyl]​-
2-(Acetylthiomethyl)-3-phenylpropionic acid
2-[(Acetylsulfanyl)methyl]-3-phenylpropionic acid
3-(Acetylthio)-2-benzylpropionic acid

 

Chemical Formula: C12H14O3S
Exact Mass: 238.07
Molecular Weight: 238.30
m/z: 238.07 (100.0%), 239.07 (14.1%), 240.06 (4.5%), 240.07 (1.5%)

 

InChI:InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)

InChI Key:BCAAXVOKLXDSPD-UHFFFAOYSA-N

Canonical SMILES:CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

Specification

98%

References

PCT Int. Appl. (2013), WO 2013098826 A1 20130704.                                 

PCT Int. Appl. (2011), WO 2011116490 A1 20110929. 

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