Cas no 62039-61-6 (2-Thiophenecarboxylic acid, 5-(tetradecylthio)-)
62039-61-6 structure
Product Name:2-Thiophenecarboxylic acid, 5-(tetradecylthio)-
CAS No:62039-61-6
MF:C19H32O2S2
MW:356.586183547974
CID:459942
PubChem ID:12361511
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(tetradecylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(tetradecylthio)-
- 5-tetradecylsulfanylthiophene-2-carboxylic acid
- AYAZXLVWCVKWQX-UHFFFAOYSA-N
- 62039-61-6
- 5-(tetradecylthio)-2 -thiophene carboxylic acid
- CHEMBL3273824
- SCHEMBL11711979
- 5-(TETRADECYLSULFANYL)THIOPHENE-2-CARBOXYLIC ACID
- DTXSID50494157
-
- Inchi: 1S/C19H32O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)
- InChI Key: AYAZXLVWCVKWQX-UHFFFAOYSA-N
- SMILES: S(C1=CC=C(C(=O)O)S1)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 356.18456
- Monoisotopic Mass: 356.18437261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 297
- 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: 9
- Topological Polar Surface Area: 90.8?2
Experimental Properties
- PSA: 37.3
2-Thiophenecarboxylic acid, 5-(tetradecylthio)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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