Cas no 2314-40-1 (1,3-Dithiol-2-one)
1,3-Dithiol-2-one structure
Product Name:1,3-Dithiol-2-one
1,3-Dithiol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dithiol-2-one
- SCHEMBL641489
- DTXSID80177709
- InChI=1/C3H2OS2/c4-3-5-1-2-6-3/h1-2
- 2314-40-1
-
- Inchi： 1S/C3H2OS2/c4-3-5-1-2-6-3/h1-2H
- InChI Key： FWLLWHCFLMXGDG-UHFFFAOYSA-N
- SMILES： S1C(=O)SC=C1
Computed Properties
- Exact Mass: 117.95476
- Monoisotopic Mass: 117.954706
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 87
- 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: 67.7
- XLogP3: 1.4
Experimental Properties
- Density: 1.525
- Boiling Point: 234.5°Cat760mmHg
- Flash Point: 112.4°C
- Refractive Index: 1.698
- PSA: 17.07
1,3-Dithiol-2-one Related Literature
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Franck Camerel,Olivier Jeannin,Gilles Yzambart,Bruno Fabre,Dominique Lorcy,Marc Fourmigué New J. Chem. 2013 37 992
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Katrina Scanlan,Alexander L. Kanibolotsky,Benjamin Breig,Gordon J. Hedley,Peter J. Skabara J. Mater. Chem. C 2019 7 6582
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3. Preparation and chemistry of new unsymmetrically substituted tetrachalcogenofulvalenes bearing CN(CH2)2X and HO(CH2)2X groups (X = S or Se)Laurent Binet,Jean Marc Fabre,Claude Montginoul,Klaus Baek Simonsen,Jan Becher J. Chem. Soc. Perkin Trans. 1 1996 783
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Ashta Chandra Ghosh,Jakob Klaus Reinhardt,Markus Karl Kindermann,Carola Schulzke Chem. Commun. 2014 50 10102
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Ashta Chandra Ghosh,Jakob Klaus Reinhardt,Markus Karl Kindermann,Carola Schulzke Chem. Commun. 2014 50 10102
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