Cas no 269-02-3 (Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI))
269-02-3 structure
Product Name:Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI)
Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI)
- 2,3-Benzothialene
- cyclopenta[b]thiochromene
- DTXSID60486260
- 269-02-3
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- Inchi: 1S/C12H8S/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-8H
- InChI Key: SPOHWZXIHGXDQM-UHFFFAOYSA-N
- SMILES: S1C2C=CC=CC=2C=C2C=CC=C12
Computed Properties
- Exact Mass: 184.03474
- Monoisotopic Mass: 184.03467143g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 190
- 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
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI) 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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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