Cas no 338797-41-4 (L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)-)
![L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)- structure](https://ossimg.kuujia.com/scimg/339000/338797-41-4x500.png)
338797-41-4 structure
Product Name:L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)-
CAS No:338797-41-4
MF:C13H17N3O4S2
MW:343.421780347824
CID:1461075
Update Time:2024-08-24
L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
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- L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)-
- L-Alanine, 3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)-
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- Inchi： 1S/C13H17N3O4S2/c17-13(18)10(14-11-5-1-3-7-15(11)19)9-21-22-12-6-2-4-8-16(12)20/h2,4,6,8,10,14H,1,3,5,7,9H2,(H,17,18)
- InChI Key： LEYBVURHXWEUTG-UHFFFAOYSA-N
- SMILES： OC(C(NC1CCCC[N+]=1[O-])CSSC1[N+]([O-])=CC=CC=1)=O
Computed Properties
- Exact Mass: 343.06621
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- XLogP3: 0.406
Experimental Properties
- Density: 1.49±0.1 g/cm3(Predicted)
- Boiling Point: 647.4±65.0 °C(Predicted)
- PSA: 102.34
- pka: 2.83±0.10(Predicted)
L-Alanine,3-[(1-oxido-2-pyridinyl)dithio]-N-(3,4,5,6-tetrahydro-1-oxido-2-pyridinyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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