Cas no 53402-11-2 (Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)-)
![Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)- structure](https://ossimg.kuujia.com/scimg/53500/53402-11-2x500.png)
53402-11-2 structure
Product Name:Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)-
CAS No:53402-11-2
MF:C10H16S
MW:168.299041748047
CID:357368
PubChem ID:11105765
Update Time:2025-04-19
Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)-
- DTXSID30455342
- 53402-11-2
-
- Inchi： 1S/C10H16S/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
- InChI Key： LZCJFUYIXHJWPV-OIBJUYFYSA-N
- SMILES： S=C1C(C)(C)[C@H]2CC[C@]1(C)C2
Computed Properties
- Exact Mass: 168.09738
- Monoisotopic Mass: 168.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 32.1?2
Experimental Properties
- PSA: 0
Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-, (1R,4S)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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