Cas no 88620-39-7 (3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-, 1-oxide)
88620-39-7 structure
Product Name:3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-, 1-oxide
CAS No:88620-39-7
MF:C6H9NO4S
MW:191.204960584641
CID:626743
PubChem ID:67931084
Update Time:2025-04-19
3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-, 1-oxide
- 6-methyl-1,5-dioxo-1,4-thiazinane-3-carboxylic acid
- 88620-39-7
- DTXSID10737815
- 6-Methyl-1,5-dioxo-1lambda~4~,4-thiazinane-3-carboxylic acid
- SCHEMBL9800826
-
- Inchi： 1S/C6H9NO4S/c1-3-5(8)7-4(6(9)10)2-12(3)11/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
- InChI Key： CFEZPGZMYKXBDE-UHFFFAOYSA-N
- SMILES： S1(CC(C(=O)O)NC(C1C)=O)=O
Computed Properties
- Exact Mass: 191.02522894g/mol
- Monoisotopic Mass: 191.02522894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 103?2
3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-, 1-oxide Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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