Cas no 57248-41-6 (Thiophene, 2,5-dichloro-3-ethyl-)
57248-41-6 structure
Product Name:Thiophene, 2,5-dichloro-3-ethyl-
CAS No:57248-41-6
MF:C6H6Cl2S
MW:181.082838535309
CID:345996
PubChem ID:70328927
Update Time:2025-04-19
Thiophene, 2,5-dichloro-3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 2,5-dichloro-3-ethyl-
- 2,5-dichloro-3-ethylthiophene
- 57248-41-6
- SCHEMBL8272936
- DTXSID60741826
-
- Inchi： 1S/C6H6Cl2S/c1-2-4-3-5(7)9-6(4)8/h3H,2H2,1H3
- InChI Key： JWRLUXLFZJSCOY-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(S1)Cl)CC
Computed Properties
- Exact Mass: 179.95688
- Monoisotopic Mass: 179.9567268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 97.1
- 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: 28.2?2
Experimental Properties
- PSA: 0
Thiophene, 2,5-dichloro-3-ethyl- 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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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