Cas no 58844-68-1 (2-[2-(phenylsulfanyl)phenyl]propanoic acid)
![2-[2-(phenylsulfanyl)phenyl]propanoic acid structure](https://ossimg.kuujia.com/scimg/59000/58844-68-1x500.png)
58844-68-1 structure
Product Name:2-[2-(phenylsulfanyl)phenyl]propanoic acid
CAS No:58844-68-1
MF:C15H14O2S
MW:258.335463047028
CID:1614748
PubChem ID:3041924
Update Time:2025-04-21
2-[2-(phenylsulfanyl)phenyl]propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[2-(phenylsulfanyl)phenyl]propanoic acid
- 2-(2-phenylsulfanylphenyl)propanoic acid
- DTXSID80974351
- Propionic acid, 2-(o-(phenylthio)phenyl)-
- BRN 2126218
- alpha-Methyl-2-(phenylthio)benzeneacetic acid
- CHEMBL3277069
- Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
- SCHEMBL9235115
- 2-(2'-Phenylthio)phenylpropionic acid
- 58844-68-1
-
- Inchi： 1S/C15H14O2S/c1-11(15(16)17)13-9-5-6-10-14(13)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)
- InChI Key： HKPDQCFSNKWQOH-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC=CC=1C(C(=O)O)C
Computed Properties
- Exact Mass: 258.07152
- Monoisotopic Mass: 258.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
2-[2-(phenylsulfanyl)phenyl]propanoic acid Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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