Cas no 57640-14-9 (Thiophene, 2,2'-(1,4-butanediyl)bis-)
57640-14-9 structure
Product Name:Thiophene, 2,2'-(1,4-butanediyl)bis-
CAS No:57640-14-9
MF:C12H14S2
MW:222.369560718536
CID:344745
PubChem ID:12234313
Update Time:2025-04-19
Thiophene, 2,2'-(1,4-butanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 2,2'-(1,4-butanediyl)bis-
- 2-(4-thiophen-2-ylbutyl)thiophene
- 57640-14-9
- DTXSID30481661
- SCHEMBL20146704
-
- Inchi： 1S/C12H14S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H,1-2,5-6H2
- InChI Key： CZOWEMLKQZPVNE-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CCCCC1=CC=CS1
Computed Properties
- Exact Mass: 222.05382
- Monoisotopic Mass: 222.05369279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 140
- 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: 4.3
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 0
Thiophene, 2,2'-(1,4-butanediyl)bis- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
57640-14-9 (Thiophene, 2,2'-(1,4-butanediyl)bis-) Related Products
- 18794-77-9(2-Hexylthiophene)
- 1455-20-5(2-Butylthiophene)
- 111510-96-4(2-BUTYL-5-METHYLTHIOPHENE)
- 4861-61-4(2-Dodecylthiophene)
- 54411-06-2(2-n-Butyl-5-ethylthiophene)
- 32741-05-2(2-Isobutylthiophene)
- 880-36-4(2-N-Octylthiophene)
- 18794-78-0(Thiophene, 2-heptyl-)
- 4861-58-9(2-Pentylthiophene)
- 1551-27-5(2-Propylthiophene)
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