Cas no 6959-73-5 (Urea,N-[2-(methylsulfonyl)ethyl]-)
6959-73-5 structure
Product Name:Urea,N-[2-(methylsulfonyl)ethyl]-
CAS No:6959-73-5
MF:C4H10N2O3S
MW:166.198799610138
CID:525011
PubChem ID:250253
Update Time:2025-04-19
Urea,N-[2-(methylsulfonyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-[2-(methylsulfonyl)ethyl]-
- 6959-73-5
- NSC-69433
- SCHEMBL2709816
- NSC69433
- N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
- DTXSID40989668
-
- Inchi: 1S/C4H10N2O3S/c1-10(8,9)3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
- InChI Key: RRBQNJXQYGPMPA-UHFFFAOYSA-N
- SMILES: S(C)(CCNC(N)=O)(=O)=O
Computed Properties
- Exact Mass: 166.0413
- Monoisotopic Mass: 166.041213
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 203
- 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
- Topological Polar Surface Area: 97.6
- XLogP3: -1.7
Experimental Properties
- Density: 1.327
- Boiling Point: 393°Cat760mmHg
- Flash Point: 191.5°C
- Refractive Index: 1.499
- PSA: 89.26
- LogP: 0.87130
Urea,N-[2-(methylsulfonyl)ethyl]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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