Cas no 279-45-8 (2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI))
![2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI) structure](https://ossimg.kuujia.com/scimg/500/279-45-8x500.png)
279-45-8 structure
Product Name:2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI)
2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI)
- 2,5-dithia-7-azabicyclo[2.2.1]heptane
- 1,4-Dithiane,2,5-imino-
- 2,5-Endimino-1,4-dithiane
- DTXSID00782798
- 279-45-8
-
- Inchi： 1S/C4H7NS2/c1-3-5-4(6-1)2-7-3/h3-5H,1-2H2
- InChI Key： KIQFGHUQFJLDGN-UHFFFAOYSA-N
- SMILES： S1CC2NC1CS2
Computed Properties
- Exact Mass: 133.00211
- Monoisotopic Mass: 133.00199157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 75.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 12.03
2,5-Dithia-7-azabicyclo[2.2.1]heptane(6CI,7CI,8CI,9CI) Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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