Cas no 126213-53-4 (Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro-)
![Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro- structure](https://ossimg.kuujia.com/scimg/126500/126213-53-4x500.png)
126213-53-4 structure
Product Name:Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro-
CAS No:126213-53-4
MF:C12H18O2S
MW:226.335122585297
CID:2769167
PubChem ID:9899382
Update Time:2025-04-21
Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-n-hexyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine
- Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro-
- SCHEMBL4258523
- Racemic 2-n-hexyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine
- Racemic 2-n-hexyl-2,3-dihydro-thieno[3,4-b] [1,4]dioxine
- DTXSID60432540
- 2-n-hexyl-2,3-dihydro-thieno[3,4-b] [1,4]dioxine
- GNKLXVLAGYHFRJ-UHFFFAOYSA-N
- 126213-53-4
-
- Inchi： 1S/C12H18O2S/c1-2-3-4-5-6-10-7-13-11-8-15-9-12(11)14-10/h8-10H,2-7H2,1H3
- InChI Key： GNKLXVLAGYHFRJ-UHFFFAOYSA-N
- SMILES： S1C=C2C(=C1)OC(CO2)CCCCCC
Computed Properties
- Exact Mass: 226.10275099Da
- Monoisotopic Mass: 226.10275099Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 46.7?2
Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro- Related Literature
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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