Cas no 135453-49-5 (4H-Cyclopenta[b]thiophene-4,5,6-trione)
![4H-Cyclopenta[b]thiophene-4,5,6-trione structure](https://ossimg.kuujia.com/scimg/135500/135453-49-5x500.png)
135453-49-5 structure
Product Name:4H-Cyclopenta[b]thiophene-4,5,6-trione
CAS No:135453-49-5
MF:C7H2O3S
MW:166.153980731964
CID:1238320
PubChem ID:58820654
Update Time:2025-04-20
4H-Cyclopenta[b]thiophene-4,5,6-trione Chemical and Physical Properties
Names and Identifiers
-
- 4H-Cyclopenta[b]thiophene-4,5,6-trione
- cyclopenta[b]thiophene-4,5,6-trione
- DTXSID80730338
- SCHEMBL14560918
- 135453-49-5
-
- Inchi： 1S/C7H2O3S/c8-4-3-1-2-11-7(3)6(10)5(4)9/h1-2H
- InChI Key： SCYJWBOISFCFSH-UHFFFAOYSA-N
- SMILES： S1C=CC2C(C(C(C1=2)=O)=O)=O
Computed Properties
- Exact Mass: 165.97246
- Monoisotopic Mass: 165.97246510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 79.4?2
Experimental Properties
- PSA: 51.21
4H-Cyclopenta[b]thiophene-4,5,6-trione Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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