Cas no 5269-85-2 (1,3-Diazocine-2(1H)-thione, hexahydro-)
5269-85-2 structure
Product Name:1,3-Diazocine-2(1H)-thione, hexahydro-
CAS No:5269-85-2
MF:C6H12N2S
MW:144.237879753113
CID:1578553
PubChem ID:5372734
Update Time:2025-04-21
1,3-Diazocine-2(1H)-thione, hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Diazocine-2(1H)-thione, hexahydro-
- 1,3-diazocane-2-thione
- hexahydro-1,3-diazocine-2(1H)-thione
- 5269-85-2
- 1,3-Diazacyclooctane-2-thione
- DTXSID60418703
- hexahydro-1,3-diazocin-2(1H)-thione
- SCHEMBL8961691
- 1,3-Diazocane-2-thione #
- AKOS006379739
-
- Inchi： 1S/C6H12N2S/c9-6-7-4-2-1-3-5-8-6/h1-5H2,(H2,7,8,9)
- InChI Key： OLCIPZHLPOAOIH-UHFFFAOYSA-N
- SMILES： S=C1NCCCCCN1
Computed Properties
- Exact Mass: 144.07226
- Monoisotopic Mass: 144.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 93.2
- 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
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
1,3-Diazocine-2(1H)-thione, hexahydro- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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