Cas no 59611-38-0 (3,4-Thiophenedimethanol, 2,5-diphenyl-)
59611-38-0 structure
Product Name:3,4-Thiophenedimethanol, 2,5-diphenyl-
CAS No:59611-38-0
MF:C18H16O2S
MW:296.383443832397
CID:338050
PubChem ID:12270908
Update Time:2025-04-19
3,4-Thiophenedimethanol, 2,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Thiophenedimethanol, 2,5-diphenyl-
- [4-(hydroxymethyl)-2,5-diphenylthiophen-3-yl]methanol
- DTXSID70483407
- 59611-38-0
-
- Inchi： 1S/C18H16O2S/c19-11-15-16(12-20)18(14-9-5-2-6-10-14)21-17(15)13-7-3-1-4-8-13/h1-10,19-20H,11-12H2
- InChI Key： CHQXYALGYZNKEY-UHFFFAOYSA-N
- SMILES： S1C(C2C=CC=CC=2)=C(CO)C(CO)=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 296.08718
- Monoisotopic Mass: 296.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 280
- 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: 3.2
- Topological Polar Surface Area: 68.7?2
Experimental Properties
- PSA: 40.46
3,4-Thiophenedimethanol, 2,5-diphenyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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