Cas no 62305-92-4 (3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-5-oxo-, (S)-)
62305-92-4 structure
Product Name:3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-5-oxo-, (S)-
CAS No:62305-92-4
MF:C7H11NO3S
MW:189.232140779495
CID:450019
PubChem ID:14039527
Update Time:2025-04-19
3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-5-oxo-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-5-oxo-, (S)-
- (3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
- DTXSID30554804
- 62305-92-4
-
- Inchi： 1S/C7H11NO3S/c1-7(2)5(6(10)11)8-4(9)3-12-7/h5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
- InChI Key： BWBSSMBCOJPCKE-YFKPBYRVSA-N
- SMILES： S1CC(N[C@@H](C(=O)O)C1(C)C)=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: 1
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 66.4
3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-5-oxo-, (S)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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