Cas no 27283-98-3 (3-Thiomorpholinecarboxylic acid, 6-ethyl-5-oxo-)
27283-98-3 structure
Product Name:3-Thiomorpholinecarboxylic acid, 6-ethyl-5-oxo-
CAS No:27283-98-3
MF:C7H11NO3S
MW:189.232140779495
CID:1431769
PubChem ID:12921311
Update Time:2025-04-20
3-Thiomorpholinecarboxylic acid, 6-ethyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiomorpholinecarboxylic acid, 6-ethyl-5-oxo-
- 6-Ethyl-5-oxo-3-thiomorpholinecarboxylic acid
- DB-383694
- 27283-98-3
- SCHEMBL5717803
-
- Inchi： 1S/C7H11NO3S/c1-2-5-6(9)8-4(3-12-5)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
- InChI Key： BYGLTNUWDCTFPO-UHFFFAOYSA-N
- SMILES： S1CC(C(=O)O)NC(C1CC)=O
Computed Properties
- Exact Mass: 189.04603
- Monoisotopic Mass: 189.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 66.4
3-Thiomorpholinecarboxylic acid, 6-ethyl-5-oxo- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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