Cas no 65113-45-3 (1,7-Dithia-4,10-diazacyclododecane)
65113-45-3 structure
Product Name:1,7-Dithia-4,10-diazacyclododecane
CAS No:65113-45-3
MF:C8H18N2S2
MW:206.371919155121
CID:406817
PubChem ID:13157833
Update Time:2025-04-19
1,7-Dithia-4,10-diazacyclododecane Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dithia-4,10-diazacyclododecane
- 1,7-dithia-4,10-diaza-cyclododecane
- 65113-45-3
- DTXSID60523129
- SCHEMBL9873225
-
- Inchi： 1S/C8H18N2S2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2
- InChI Key： HCUKRKWSSNYTJJ-UHFFFAOYSA-N
- SMILES： S1CCNCCSCCNCC1
Computed Properties
- Exact Mass: 206.09134
- Monoisotopic Mass: 206.09114093g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 81.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 74.7?2
Experimental Properties
- PSA: 24.06
1,7-Dithia-4,10-diazacyclododecane Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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