Cas no 88620-40-0 (3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-, 1-oxide)
88620-40-0 structure
Product Name:3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-, 1-oxide
CAS No:88620-40-0
MF:C7H11NO4S
MW:205.23154091835
CID:626742
PubChem ID:67931097
Update Time:2025-04-19
3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-, 1-oxide
- 6,6-dimethyl-1,5-dioxo-1,4-thiazinane-3-carboxylic acid
- DTXSID70737816
- SCHEMBL9800861
- 88620-40-0
- 6,6-Dimethyl-1,5-dioxo-1lambda~4~,4-thiazinane-3-carboxylic acid
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- Inchi： 1S/C7H11NO4S/c1-7(2)6(11)8-4(5(9)10)3-13(7)12/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
- InChI Key： JBMHBELDMLJIDQ-UHFFFAOYSA-N
- SMILES： S1(CC(C(=O)O)NC(C1(C)C)=O)=O
Computed Properties
- Exact Mass: 205.04087901g/mol
- Monoisotopic Mass: 205.04087901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 286
- 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: -1.2
- Topological Polar Surface Area: 103?2
3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-, 1-oxide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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