Cas no 61367-34-8 (1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea)
61367-34-8 structure
Product Name:1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
CAS No:61367-34-8
MF:C8H15ClN2O5S2
MW:318.798098802567
CID:954388
PubChem ID:301950
Update Time:2025-04-19
1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
- 61367-35-9
- NSC181930
- NSC-196563
- NSC-181930
- DTXSID60976898
- 61367-34-8
- N'-(2-Chloroethyl)-N-(2-methyl-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithian-5-yl)carbamimidic acid
- NSC196563
-
- Inchi： 1S/C8H15ClN2O5S2/c1-6-17(13,14)4-7(5-18(6,15)16)11-8(12)10-3-2-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
- InChI Key： SYXJQQUZLIGCDW-UHFFFAOYSA-N
- SMILES： ClCCNC(NC1CS(C(C)S(C1)(=O)=O)(=O)=O)=O
Computed Properties
- Exact Mass: 318.0110916g/mol
- Monoisotopic Mass: 318.0110916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 469
- 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: 126?2
1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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