Cas no 26723-07-9 (Thiocyanic acid,5-ethyl-2,6-dioxo-5-phenyl-3-piperidinyl ester)
26723-07-9 structure
Product Name:Thiocyanic acid,5-ethyl-2,6-dioxo-5-phenyl-3-piperidinyl ester
CAS No:26723-07-9
MF:C14H14N2O2S
MW:274.338161945343
CID:265905
PubChem ID:213551
Update Time:2025-04-19
Thiocyanic acid,5-ethyl-2,6-dioxo-5-phenyl-3-piperidinyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,5-ethyl-2,6-dioxo-5-phenyl-3-piperidinyl ester
- (5-ethyl-2,6-dioxo-5-phenylpiperidin-3-yl) thiocyanate
- BRN 1543336
- 5-21-13-00160 (Beilstein Handbook Reference)
- DTXSID30949534
- Thiocyanic acid, 2,6-dioxo-5-ethyl-5-phenyl-3-piperidinyl ester
- 2-Fenil-2-etil-4-tiociano-glutarimmide
- 2,6-Dioxo-5-ethyl-5-phenyl-3-piperidyl ester of thiocyanic acid
- 2-Fenil-2-etil-4-tiociano-glutarimmide [Italian]
- 2,6-Piperidinedione, 3-ethyl-3-phenyl-5-thiocyanato
- 26723-07-9
- 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate
-
- Inchi： 1S/C14H14N2O2S/c1-2-14(10-6-4-3-5-7-10)8-11(19-9-15)12(17)16-13(14)18/h3-7,11H,2,8H2,1H3,(H,16,17,18)
- InChI Key： CVFPKDGHOZFUDV-UHFFFAOYSA-N
- SMILES： S(C#N)C1C(NC(C(C2C=CC=CC=2)(CC)C1)=O)=O
Computed Properties
- Exact Mass: 274.07772
- Monoisotopic Mass: 274.078
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 422
- 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: 2.6
- Topological Polar Surface Area: 95.3?2
Experimental Properties
- Density: 1.28
- Boiling Point: 503.7°Cat760mmHg
- Flash Point: 258.4°C
- Refractive Index: 1.606
- PSA: 69.96
Thiocyanic acid,5-ethyl-2,6-dioxo-5-phenyl-3-piperidinyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
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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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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