Cas no 72037-38-8 (2-Oxepanethione)
2-Oxepanethione structure
Product Name:2-Oxepanethione
CAS No:72037-38-8
MF:C6H10OS
MW:130.208000659943
CID:544680
PubChem ID:10261116
Update Time:2025-04-19
2-Oxepanethione Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxepanethione
- oxepane-2-thione
- SCHEMBL2108347
- 72037-38-8
- DTXSID80437395
-
- Inchi： 1S/C6H10OS/c8-6-4-2-1-3-5-7-6/h1-5H2
- InChI Key： RKBCBHLHIGNVMF-UHFFFAOYSA-N
- SMILES： S=C1CCCCCO1
Computed Properties
- Exact Mass: 130.0453
- Monoisotopic Mass: 130.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 90.5
- 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: 1.5
- Topological Polar Surface Area: 41.3?2
Experimental Properties
- PSA: 9.23
2-Oxepanethione Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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