Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide (9CI)
- Iupac Name：2-ethoxy-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]furan 5,5-dioxide
- CAS No.: 147528-94-7
- Molecular Weight：206.256
- Modify Date.: 2022-10-27 03:06
1. Names and Identifiers
- 1.1 Name
- Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide (9CI)
- 1.2 Synonyms
2-Ethoxyhexahydrothieno[3,4-b]furan 5,5-dioxide Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide (9CI)
- 1.3 CAS No.
- 147528-94-7
- 1.4 CID
- 45094088
- 1.5 Molecular Formula
- C8H14O4S (isomer)
- 1.6 Inchi
- InChI=1S/C8H14O4S/c1-2-11-8-3-6-4-13(9,10)5-7(6)12-8/h6-8H,2-5H2,1H3
- 1.7 InChIkey
- JXSIKHOPYRAAQT-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CCOC1CC2CS(=O)(=O)CC2O1
- 1.9 Isomers Smiles
- CCOC1CC2CS(=O)(=O)CC2O1
2. Properties
- 2.1 Density
- 1.3±0.1 g/cm3
- 2.1 Boiling point
- 385.8±37.0 °C at 760 mmHg
- 2.1 Refractive index
- 1.510
- 2.1 Flash Point
- 187.1±26.5 °C
- 2.1 PSA
- 52.6
- 2.1 logP
- -1.07
3. Computational chemical data
- Molecular Weight: 206.256g/mol
- Molecular Formula: C8H14O4S
- Compound Is Canonicalized: True
- XLogP3-AA: 0.1
- Exact Mass: 206.06128010
- Monoisotopic Mass: 206.06128010
- Complexity: 279
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 61
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAASAAAAAAAAGgQAAAAADRS0wAOCCAAABAoAAAAAAHBAAAAAABAAAAAAAAAQAAIgAAAiAAAEAAAkAADAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Recommended Suppliers
5. Realated Product Infomation
-
53056-91-0
Thieno[3,4-b]pyrazine, octahydro-, 6,6-dioxide (9CI)
-
488138-32-5
6(2H)-Benzofuranone,4-ethoxyhexahydro-3a-hydroxy-,(3aR,4S,7aR)-rel-(-)-(9CI)
-
917-73-7
Methanethial, S,S-dioxide (9CI)
-
779355-86-1
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide (9CI)
-
143654-19-7
4,6-Dihydro-thieno[3,4-d]thiazole 5,5-dioxide
-
279669-65-7
Isothiazolidine, 2-(1-methylethyl)-, 1,1-dioxide (9CI)
-
51420-58-7
2-Quinoxalinamine,3-methyl-,1,4-dioxide(9CI)
![Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide (9CI) structure](http://structimg.guidechem.com/2/14/405733.png)
![Thieno[3,4-b]pyrazine, octahydro-, 6,6-dioxide (9CI)](https://structimg.guidechem.com/6/18/504317.png)
![4,6-Dihydro-thieno[3,4-d]thiazole 5,5-dioxide](https://structimg.guidechem.com/10/34/163353.png)
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