Cas no 34949-17-2 (Azacyclododecane-2-thione,1-methyl-)
34949-17-2 structure
Product Name:Azacyclododecane-2-thione,1-methyl-
CAS No:34949-17-2
MF:C12H23NS
MW:213.382722139359
CID:295232
PubChem ID:45118607
Update Time:2025-04-19
Azacyclododecane-2-thione,1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Azacyclododecane-2-thione,1-methyl-
- 1-methyl-azacyclododecane-2-thione
- DTXSID00668780
- 34949-17-2
- 1-Methyl-1-azacyclododecane-2-thione
-
- Inchi： 1S/C12H23NS/c1-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h2-11H2,1H3
- InChI Key： HISLQPURLFWKNI-UHFFFAOYSA-N
- SMILES： S=C1CCCCCCCCCCN1C
Computed Properties
- Exact Mass: 213.15529
- Monoisotopic Mass: 213.15512091g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 168
- 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: 3.8
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 3.24
Azacyclododecane-2-thione,1-methyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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