Cas no 3986-98-9 (2H-chromene-2-thione)
2H-chromene-2-thione structure
Product Name:2H-chromene-2-thione
2H-chromene-2-thione Chemical and Physical Properties
Names and Identifiers
-
- 2H-chromene-2-thione
- 2H-1-benzopyran-2-thione
- 2H-1-Benzopyran-2-thione (9CI)
- chromene-2-thione
- 1-thiocoumarin
- 2H-chromen-2-thione
- 2-Thiocoumarin
- benzopyran-2-thione
- COUMARIN,2-THIO
- Coumarin-2-thione
- STL348483
- DB-234054
- BRN 0114084
- SCHEMBL93945
- COUMARIN, 2-THIO-
- PMID30074415-Compound-20
- InChI=1/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6
- 2H-Chromene-2-thione #
- 3986-98-9
- CHEMBL3759409
- 5-17-10-00148 (Beilstein Handbook Reference)
- AKOS006372197
- DTXSID20192911
-
- Inchi： 1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
- InChI Key： FRZDLTCXOSFHJC-UHFFFAOYSA-N
- SMILES： S=C1C=CC2C=CC=CC=2O1
Computed Properties
- Exact Mass: 162.01400
- Monoisotopic Mass: 162.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 198
- 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: 2
- Topological Polar Surface Area: 41.3A^2
Experimental Properties
- Density: 1.29
- Boiling Point: 250.6°C at 760 mmHg
- Flash Point: 105.3°C
- Refractive Index: 1.682
- PSA: 45.23000
- LogP: 3.16230
2H-chromene-2-thione Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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