Thieno[3,4-c]furan-1,3(4H,6H)-dione
- Iupac Name：4,6-dihydrothieno[3,4-c]furan-1,3-dione
- CAS No.: 75532-25-1
- Molecular Weight：156.16
- Modify Date.: 2022-10-28 00:33
1. Names and Identifiers
- 1.1 Name
- Thieno[3,4-c]furan-1,3(4H,6H)-dione
- 1.2 Synonyms
2,5-Dihydro-thiophen-3,4-dicarbonsaeure-anhydrid 2,5-dihydrothiophene-3,4-dicarboxylic acid anhydride 2,5-dihydro-thiophene-3,4-dicarboxylic acid-anhydride 2,5-dihydrothiophene-3,4-dicarboxylic anhydride 4,6-dihydro-1H,3H-Thieno[3,4-c]furan-1,3-dione Thieno[3,4-c]furan-1,3(4H,6H)-dione
- 1.3 CAS No.
- 75532-25-1
- 1.4 CID
- 10888141
- 1.5 Molecular Formula
- C6H4O3S (isomer)
- 1.6 Inchi
- InChI=1S/C6H4O3S/c7-5-3-1-10-2-4(3)6(8)9-5/h1-2H2
- 1.7 InChIkey
- OEPDMUMGYXMSJZ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1C2=C(CS1)C(=O)OC2=O
- 1.9 Isomers Smiles
- C1C2=C(CS1)C(=O)OC2=O
2. Properties
- 2.1 PSA
- 43.37
- 2.1 logP
- 0.11320
3. Synthesis Route
75532-25-1Total: 1 Synthesis Route
4. Computational chemical data
- Molecular Weight: 156.16g/mol
- Molecular Formula: C6H4O3S
- Compound Is Canonicalized: True
- XLogP3-AA: -0.1
- Exact Mass: 155.98811516
- Monoisotopic Mass: 155.98811516
- Complexity: 230
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 68.7
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBgMABAAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAASAAAAAAAAGgQAAAAADACEwACACAAABAiIAgDQCAAAAAAAABAACAEAAEAABAAgIAACEAAAAAAgIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Recommended Suppliers
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![Thieno[3,4-c]furan-1,3(4H,6H)-dione structure](http://structimg.guidechem.com/8/56/909355.png)
![thieno[2,3-c]furan-4,6-dione](https://structimg.guidechem.com/10/46/660045.png)
![4,5-DIHYDROSPIRO(FURAN-3(2H),2'(3'H)-THIENO[2,3-B]PYRIDINE)-2,3'-DIONE](https://structimg.guidechem.com/11/23/399562.png)
![Thieno[3,4-b]furan, 2-ethoxyhexahydro-, 5,5-dioxide (9CI)](https://structimg.guidechem.com/2/14/405733.png)
![Benzofuro[5,6-b]furan-4,8-dione](https://structimg.guidechem.com/1/49/2945208.png)
![Thieno[3,2-b]thiophene-2,5-dione](https://structimg.guidechem.com/8/20/3191179.png)
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