Cas no 112269-38-2 (2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)-)
![2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)- structure](https://ossimg.kuujia.com/scimg/112500/112269-38-2x500.png)
112269-38-2 structure
Product Name:2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)-
CAS No:112269-38-2
MF:C18H22N2O3S2
MW:378.508882045746
CID:185560
Update Time:2024-03-01
2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)-
- 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-, (1R)-
- 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-, (1R,4R)- (9CI)
- Dithiosilvatin
- Dithiosilvatine
- 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione, 5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)-
-
- Inchi： 1S/C18H22N2O3S2/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-18-17(22)19(3)16(24-25-18)15(21)20(18)4/h5-9,16H,10-11H2,1-4H3/t16-,18-/m1/s1
- InChI Key： JSIYDGFKARPHEZ-SJLPKXTDSA-N
- SMILES： [C@]12(CC3=CC=C(OC/C=C(\C)/C)C=C3)N(C)C(=O)[C@]([H])(N(C)C1=O)SS2
Computed Properties
- Exact Mass: 378.10736
Experimental Properties
- Density: 1.289±0.06 g/cm3(Predicted)
- Boiling Point: 598.5±50.0 °C(Predicted)
- PSA: 49.85
- pka: -1.86±0.40(Predicted)
2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione,5,7-dimethyl-1-[[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-, (1R,4R)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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