Cas no 3533-72-0 (1,3-dihydro-2-benzothiophene 2-oxide)
3533-72-0 structure
Product Name:1,3-dihydro-2-benzothiophene 2-oxide
1,3-dihydro-2-benzothiophene 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dihydro-2-benzothiophene 2-oxide
- 1,3-dihydro-benzo[c]thiophene 2-oxide
- 1,3-dihydrobenzo[c]thiophene-2-oxide
- 1,3-dihydroisothianaphthene-2-oxide
- 2-thiaindan S-oxide
- 2-thiaindane S-oxide
- AC1L69GY
- AC1Q6Z2M
- AR-1B6921
- benzodihydrothiophene oxide
- CTK4H4304
- KST-1B3487
- NSC149594
- SureCN255960
- syn- and anti-cis-8-thiabicyclo< 4.3.0> non-3-ene 8-oxide
- DTXSID10302188
- 1,3-Dihydrobenzo[c]thiophene 2-oxide
- NSC-149594
- starbld0014607
- YYVPARHZEAEOHF-UHFFFAOYSA-N
- 1,3-Dihydro-2-benzothiophene 2-oxide #
- Benzo[c]thiophene, 1,3-dihydro-, 2-oxide
- SCHEMBL255960
- 3533-72-0
-
- Inchi： 1S/C8H8OS/c9-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
- InChI Key： YYVPARHZEAEOHF-UHFFFAOYSA-N
- SMILES： S1(CC2C=CC=CC=2C1)=O
Computed Properties
- Exact Mass: 152.02964
- Monoisotopic Mass: 152.02958605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 139
- 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: 0.7
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- PSA: 17.07
- LogP: 2.31460
1,3-dihydro-2-benzothiophene 2-oxide Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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