Cas no 33024-48-5 (1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea)
33024-48-5 structure
Product Name:1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
CAS No:33024-48-5
MF:C7H12FN3O6S2
MW:317.315082550049
CID:917509
PubChem ID:97613
Update Time:2025-04-19
1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea Chemical and Physical Properties
Names and Identifiers
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- 1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
- 1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
- 3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea S,S,S',S'-tetraoxide
- AC1L3YVO
- BRN 1440470
- CHEMBL274411
- CTK8I2301
- NSC136900
- Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
- Urea,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S',S'-tetraoxide
- Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S'S'-tetraoxide
- NSC-136900
- NSC 136900
- DB-225543
- 33024-48-5
- DTXSID00186691
- Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S'S'-tetraoxide (9CI)
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- Inchi： 1S/C7H12FN3O6S2/c8-1-2-11(10-13)7(12)9-6-3-18(14,15)5-19(16,17)4-6/h6H,1-5H2,(H,9,12)
- InChI Key： HWTNAOPQOYUMFC-UHFFFAOYSA-N
- SMILES： S1(CS(CC(C1)NC(N(CCF)N=O)=O)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 317.01526
- Monoisotopic Mass: 317.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 514
- 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: _1.2
- Topological Polar Surface Area: 147?2
Experimental Properties
- Density: 1.81
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.643
- PSA: 130.05
- LogP: 1.37070
1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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