Thieno[3,2-b]thiophene-2,5-dione
- Iupac Name：thieno[3,2-b]thiophene-2,5-dione
- CAS No.: 60749-71-5
- Molecular Weight：170.2
- Modify Date.: 2022-11-07 16:50
1. Names and Identifiers
- 1.1 Name
- Thieno[3,2-b]thiophene-2,5-dione
- 1.2 CAS No.
- 60749-71-5
- 1.3 CID
- 14832832
- 1.4 Molecular Formula
- C6H2O2S2 (isomer)
- 1.5 Inchi
- InChI=1S/C6H2O2S2/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2H
- 1.6 InChIkey
- JJFFKSNSZYHZPV-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- C1=C2C(=CC(=O)S2)SC1=O
- 1.8 Isomers Smiles
- C1=C2C(=CC(=O)S2)SC1=O
2. Properties
- 2.1 PSA
- 84.74000
- 2.1 logP
- 1.30100
3. Synthesis Route
60749-71-5Total: 4 Synthesis Route
5. Computational chemical data
- Molecular Weight: 170.2g/mol
- Molecular Formula: C6H2O2S2
- Compound Is Canonicalized: True
- XLogP3-AA: 0.8
- Exact Mass: 169.94962165
- Monoisotopic Mass: 169.94962165
- Complexity: 258
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 84.7
- 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: AAADcQBgMABgAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAQAAAAAAAAGgQAAAAACACAwAAAAAAAAAiIACBSAAAAAAAAABAACAAAAEAIAAAAAAAAAAAAAAAggQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
7. Realated Product Infomation
-
64942-17-2
3,6-DIMETHYL-THIENO[3,2-B]THIOPHENE-2,5-DIONE
-
133514-85-9
3-Bromo-6-methyl-thieno[3,2-b]thiophene-2,5-dione
-
251-41-2
Thieno[3,2-b]thiophene
-
250-84-0
THIENO[2,3-B]THIOPHENE
-
250-65-7
Thieno[3,4-b]thiophene
-
124638-53-5
TETRABROMO-THIENO[3,2-B]THIOPHENE
-
21210-90-2
2,5-Di(thiophen-2-yl)thieno[3,2-b]thiophene
![Thieno[3,2-b]thiophene-2,5-dione structure](http://structimg.guidechem.com/8/20/3191179.png)
![3,6-DIMETHYL-THIENO[3,2-B]THIOPHENE-2,5-DIONE](https://structimg.guidechem.com/5/17/405856.png)
![3-Bromo-6-methyl-thieno[3,2-b]thiophene-2,5-dione](https://structimg.guidechem.com/5/5/457924.png)
![Thieno[3,2-b]thiophene](https://structimg.guidechem.com/4/52/3291.png)
![THIENO[2,3-B]THIOPHENE](https://structimg.guidechem.com/8/32/409291.png)
![Thieno[3,4-b]thiophene](https://structimg.guidechem.com/12/60/432959.png)
![TETRABROMO-THIENO[3,2-B]THIOPHENE](https://structimg.guidechem.com/6/18/405917.png)
![2,5-Di(thiophen-2-yl)thieno[3,2-b]thiophene](https://structimg.guidechem.com/1/49/734748.png)
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