Cas no 33021-89-5 (Urea,N-1,3-dithian-5-yl-N'-(2-fluoroethyl)-)
33021-89-5 structure
Product Name:Urea,N-1,3-dithian-5-yl-N'-(2-fluoroethyl)-
CAS No:33021-89-5
MF:C7H13FN2OS2
MW:224.319322347641
CID:323541
PubChem ID:280447
Update Time:2025-04-19
Urea,N-1,3-dithian-5-yl-N'-(2-fluoroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-1,3-dithian-5-yl-N'-(2-fluoroethyl)-
- 1-(2-fluoroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
- 1-[1,3]dithian-5-yl-3-(2-fluoro-ethyl)-urea
- AC1L5XBA
- AC1Q6YU6
- AG-K-76961
- AR-1B0806
- CTK4G9765
- KST-1B3197
- N-(2-Fluor-ethyl)-N'-(m-dithian-5-yl)-harnstoff
- N-< 2-Fluor-ethyl> -N'-< m-dithian-5-yl> -harnstoff
- NSC136899
- N-1,3-Dithian-5-yl-N'-(2-fluoroethyl)carbamimidic acid
- NSC-132084
- DTXSID80954638
- 33021-89-5
- NSC132084
-
- Inchi： 1S/C7H13FN2OS2/c8-1-2-9-7(11)10-6-3-12-5-13-4-6/h6H,1-5H2,(H2,9,10,11)
- InChI Key： VTDNGYCVOFNHDO-UHFFFAOYSA-N
- SMILES： S1CSCC(C1)NC(NCCF)=O
Computed Properties
- Exact Mass: 224.04549
- Monoisotopic Mass: 224.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 165
- 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: 0.9
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- Density: 1.29
- Boiling Point: 457.3°Cat760mmHg
- Flash Point: 230.3°C
- Refractive Index: 1.561
- PSA: 41.13
- LogP: 1.84300
Urea,N-1,3-dithian-5-yl-N'-(2-fluoroethyl)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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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