Cas no 115417-53-3 (Thiophene, 3-butoxy-)
Thiophene, 3-butoxy- structure
Product Name:Thiophene, 3-butoxy-
CAS No:115417-53-3
MF:C8H12OS
MW:156.245281219482
CID:1205408
PubChem ID:15033728
Update Time:2025-04-20
Thiophene, 3-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 3-butoxy-
- 3-butoxythiophene
- DTXSID80567267
- 115417-53-3
- SCHEMBL151357
-
- Inchi: 1S/C8H12OS/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7H,2-3,5H2,1H3
- InChI Key: NZSSXTMHSXMZBL-UHFFFAOYSA-N
- SMILES: S1C=CC(=C1)OCCCC
Computed Properties
- Exact Mass: 510.29699
- Monoisotopic Mass: 156.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 85.3
- 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: 2.8
- Topological Polar Surface Area: 37.5?2
Experimental Properties
- PSA: 18.46
Thiophene, 3-butoxy- Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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