Cas no 63068-75-7 (2-Thiophenecarboxylic acid, 5-pentyl-)
63068-75-7 structure
Product Name:2-Thiophenecarboxylic acid, 5-pentyl-
CAS No:63068-75-7
MF:C10H14O2S
MW:198.281961917877
CID:427258
PubChem ID:12326224
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-pentyl-
- 2-pentylthiophene-5-carboxylic acid
- 5-pentylthiophene-2-carboxylic acid
- DTXSID90489603
- SVIGPKJAOCDUCY-UHFFFAOYSA-N
- SCHEMBL846642
- 63068-75-7
- 5-Pentyl-thiophene-2-carboxylic acid
-
- Inchi： 1S/C10H14O2S/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-7H,2-5H2,1H3,(H,11,12)
- InChI Key： SVIGPKJAOCDUCY-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1CCCCC
Computed Properties
- Exact Mass: 198.07152
- Monoisotopic Mass: 198.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 170
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
2-Thiophenecarboxylic acid, 5-pentyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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