Cas no 33021-66-8 (Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)-)
33021-66-8 structure
Product Name:Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)-
CAS No:33021-66-8
MF:C7H13ClN2O5S2
MW:304.771518468857
CID:322081
PubChem ID:282834
Update Time:2025-04-19
Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)-
- 1-(2-chloroethyl)-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
- 1-(2-chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
- AC1L5XBD
- AC1Q6YU5
- AG-K-76920
- AR-1B0500
- CTK4G9748
- KST-1B3184
- NSC136901
- 33021-66-8
- DTXSID20300413
- NSC-136901
-
- Inchi： 1S/C7H13ClN2O5S2/c8-1-2-9-7(11)10-6-3-16(12,13)5-17(14,15)4-6/h6H,1-5H2,(H2,9,10,11)
- InChI Key： OMRUXKZIXIQZCO-UHFFFAOYSA-N
- SMILES： ClCCNC(NC1CS(CS(C1)(=O)=O)(=O)=O)=O
Computed Properties
- Exact Mass: 303.99559
- Monoisotopic Mass: 303.9954416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 441
- 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: -1.4
- Topological Polar Surface Area: 126?2
Experimental Properties
- PSA: 109.41
Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)- 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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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