Cas no 825601-55-6 (Azetidine, 3-butyl-2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)-)
825601-55-6 structure
Product Name:Azetidine, 3-butyl-2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)-
CAS No:825601-55-6
MF:C20H33NO2S
MW:351.546524763107
CID:689180
PubChem ID:11187262
Update Time:2025-04-19
Azetidine, 3-butyl-2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)- Chemical and Physical Properties
Names and Identifiers
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- Azetidine, 3-butyl-2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)-
- (2R,3S)-3-butyl-2-hexyl-1-(4-methylphenyl)sulfonylazetidine
- DTXSID40458162
- 825601-55-6
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- Inchi: 1S/C20H33NO2S/c1-4-6-8-9-11-20-18(10-7-5-2)16-21(20)24(22,23)19-14-12-17(3)13-15-19/h12-15,18,20H,4-11,16H2,1-3H3/t18-,20+/m0/s1
- InChI Key: HJUAMBXGOKZEJY-AZUAARDMSA-N
- SMILES: S(C1C=CC(C)=CC=1)(N1C[C@H](CCCC)[C@H]1CCCCCC)(=O)=O
Computed Properties
- Exact Mass: 351.22320047g/mol
- Monoisotopic Mass: 351.22320047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 10
- Complexity: 449
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 45.8?2
Azetidine, 3-butyl-2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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