Cas no 54385-63-6 (6-ethyl-1-benzothiophene)
6-ethyl-1-benzothiophene structure
Product Name:6-ethyl-1-benzothiophene
CAS No:54385-63-6
MF:C10H10S
MW:162.251401424408
CID:1588732
PubChem ID:41059
Update Time:2025-04-21
6-ethyl-1-benzothiophene Chemical and Physical Properties
Names and Identifiers
-
- 6-ethyl-1-benzothiophene
- DA-36165
- Benzo[b]thiophene, 6-ethyl
- SCHEMBL154793
- 6-ethylbenzo[b]thiophene
- Benzo(b)thiophene, ethyl-
- 31283-17-7
- 54385-63-6
- DTXSID70969498
-
- Inchi： 1S/C10H10S/c1-2-8-3-4-9-5-6-11-10(9)7-8/h3-7H,2H2,1H3
- InChI Key： XPDFLCCDJKRYRT-UHFFFAOYSA-N
- SMILES： S1C=CC2C=CC(=CC1=2)CC
Computed Properties
- Exact Mass: 162.0504
- Monoisotopic Mass: 162.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 133
- 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
- Topological Polar Surface Area: 28.2A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 0
6-ethyl-1-benzothiophene Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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