Cas no 62353-47-3 (2H-Azepine-2-thione, hexahydro-1-octyl-)
62353-47-3 structure
Product Name:2H-Azepine-2-thione, hexahydro-1-octyl-
CAS No:62353-47-3
MF:C14H27NS
MW:241.435882806778
CID:448180
PubChem ID:12348068
Update Time:2025-04-19
2H-Azepine-2-thione, hexahydro-1-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepine-2-thione, hexahydro-1-octyl-
- 1-octylazepane-2-thione
- 62353-47-3
- DTXSID30493007
- SCHEMBL9440202
-
- Inchi: 1S/C14H27NS/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14(15)16/h2-13H2,1H3
- InChI Key: DWFNKOXJZOLULI-UHFFFAOYSA-N
- SMILES: S=C1CCCCCN1CCCCCCCC
Computed Properties
- Exact Mass: 241.18661
- Monoisotopic Mass: 241.18642104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 191
- 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: 4.5
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 3.24
2H-Azepine-2-thione, hexahydro-1-octyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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