Cas no 61860-23-9 (6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl-)
![6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/62000/61860-23-9x500.png)
61860-23-9 structure
Product Name:6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl-
CAS No:61860-23-9
MF:C9H16S
MW:156.288341522217
CID:464357
PubChem ID:12299216
Update Time:2025-04-19
6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl-
- 1,5-dimethyl-6-thiabicyclo[3.2.1]octane
- DTXSID40486167
- 61860-23-9
-
- Inchi： 1S/C9H16S/c1-8-4-3-5-9(2,6-8)10-7-8/h3-7H2,1-2H3
- InChI Key： VDCHYMXYIKHDBQ-UHFFFAOYSA-N
- SMILES： S1CC2(C)CCCC1(C)C2
Computed Properties
- Exact Mass: 156.09738
- Monoisotopic Mass: 156.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
6-Thiabicyclo[3.2.1]octane, 1,5-dimethyl- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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