Cas no 30863-24-2 (Thiocyanic acid,s-triazine-2,4,6-triyl ester (8CI))
30863-24-2 structure
Product Name:Thiocyanic acid,s-triazine-2,4,6-triyl ester (8CI)
Thiocyanic acid,s-triazine-2,4,6-triyl ester (8CI) Chemical and Physical Properties
Names and Identifiers
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- Thiocyanic acid,s-triazine-2,4,6-triyl ester (8CI)
- S-TRIAZINE-2,4,6-TRIYL THIOCYANATE
- (4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
- 30863-24-2
- DTXSID50275322
- 2,4,6-Trithiocyanato-1,3,5-triazine
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- Inchi： 1S/C6N6S3/c7-1-13-4-10-5(14-2-8)12-6(11-4)15-3-9
- InChI Key： CWQIIEXLSSXVJL-UHFFFAOYSA-N
- SMILES： S(C#N)C1N=C(N=C(N=1)SC#N)SC#N
Computed Properties
- Exact Mass: 251.935
- Monoisotopic Mass: 251.935
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 186A^2
- XLogP3: 2.7
Experimental Properties
- Density: 1.79
- Boiling Point: 556.4°C at 760 mmHg
- Flash Point: 290.3°C
- Refractive Index: 1.759
Thiocyanic acid,s-triazine-2,4,6-triyl ester (8CI) Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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4. 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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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