Cas no 101335-99-3 (2-Thiophenepentanoicacid, 5-(3-phenylpropyl)-)
101335-99-3 structure
Product Name:2-Thiophenepentanoicacid, 5-(3-phenylpropyl)-
CAS No:101335-99-3
MF:C18H22O2S
MW:302.431084156036
CID:151561
PubChem ID:208926
Update Time:2025-04-19
2-Thiophenepentanoicacid, 5-(3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenepentanoicacid, 5-(3-phenylpropyl)-
- 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoic acid
- 2-Thiophenepentanoicacid,5-(3-phenylpropyl)
- 5-(3-phenylpropyl)-2-thiophenevaleric acid
- 5-[5-(3-phenylpropyl)-thien-2-yl]-valeric acid
- Eprovafen
- Eprovafen [INN]
- UNII-4C9310B127
- SCHEMBL1613685
- 4C9310B127
- NS00121053
- 5-(3-Phenylpropyl)-2-thio-phenevaleric acid.
- DMDLRGRLIWYPQF-UHFFFAOYSA-N
- DTXSID20143862
- 101335-99-3
- CHEMBL1205532
- Q27259403
- 2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-
-
- Inchi： 1S/C18H22O2S/c19-18(20)12-5-4-10-16-13-14-17(21-16)11-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20)
- InChI Key： DMDLRGRLIWYPQF-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1CCCCC(=O)O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 302.13400
- Monoisotopic Mass: 302.13405111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.7
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 65.54000
- LogP: 4.72080
2-Thiophenepentanoicacid, 5-(3-phenylpropyl)- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
101335-99-3 (2-Thiophenepentanoicacid, 5-(3-phenylpropyl)-) Related Products
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