Cas no 90213-06-2 (Urea,N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso-)
90213-06-2 structure
Product Name:Urea,N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso-
CAS No:90213-06-2
MF:C5H10ClN3O2S
MW:211.669798374176
CID:810642
PubChem ID:128985
Update Time:2025-04-19
Urea,N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso-
- 1-(2-chloroethyl)-1-nitroso-3-(2-sulfanylethyl)urea
- N'-(N-(2-chloroethyl)-N-nitroso)carbamoylcysteamine
- 90213-06-2
- SCHEMBL9856483
- Urea, N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso-
- DTXSID60238064
- N-(2-Chloroethyl)-N'-(2-mercaptoethyl)-N-nitrosourea
- Cnc-cysteamine
-
- Inchi： 1S/C5H10ClN3O2S/c6-1-3-9(8-11)5(10)7-2-4-12/h12H,1-4H2,(H,7,10)
- InChI Key： YQGUBTDSVOSHEL-UHFFFAOYSA-N
- SMILES： ClCCN(C(NCCS)=O)N=O
Computed Properties
- Exact Mass: 211.0182254g/mol
- Monoisotopic Mass: 211.0182254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 62.8?2
Urea,N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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