Cas no 6008-60-2 (1,3-dithietan-2-ylidenepropanedinitrile)
6008-60-2 structure
Product Name:1,3-dithietan-2-ylidenepropanedinitrile
1,3-dithietan-2-ylidenepropanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dithietan-2-ylidenepropanedinitrile
- 2-(1,3-dithietan-2-ylidene)propanedinitrile
- [1,3]dithiane-2-carboxylic acid dimethylamide
- [1,3]dithietan-2-ylidene-malononitrile
- 1,3-Dithian-2-carbonsaeure-dimethylamid
- 1,3-dithiane-2-carboxamide, N,N-dimethyl-
- 2-(N,N-dimethylamino)carbonyl-1,3-dithiane
- 2-Dicyanmethylen-1,3-dithietan
- AC1L7ZSR
- c1-8(2)6(9)7-10-4-3-5-11-7
- C7H13NOS2
- h7H,3-5H2,1-2H
- N,N-Dimethyl-1,3-dithian-2-carboxamid
- NSC261549
- NSC-179789
- DTXSID7073359
- 6008-60-2
- 1,3-Dithietane-delta(2,alpha)-malononitrile
- 61814-09-3
- SCHEMBL9694468
- NSC 179789
- NSC179789
- CP 28378
- 1,3-Dithietan-delta(2,alpha)-malononitrile
- Solvent Blue 58
- Propanedinitrile, 1,3-dithietan-2-ylidene-
-
- Inchi： 1S/C5H2N2S2/c6-1-4(2-7)5-8-3-9-5/h3H2
- InChI Key： ZKJSHCHPIMUIFQ-UHFFFAOYSA-N
- SMILES： S1/C(=C(\C#N)/C#N)/SC1
Computed Properties
- Exact Mass: 153.96606
- Monoisotopic Mass: 153.96594042g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 225
- 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: 1.3
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 47.58
1,3-dithietan-2-ylidenepropanedinitrile Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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