Cas no 95332-75-5 (2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis-)
![2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis- structure](https://ossimg.kuujia.com/scimg/95500/95332-75-5x500.png)
95332-75-5 structure
Product Name:2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis-
CAS No:95332-75-5
MF:C16H26O4S2
MW:346.505242824554
CID:735043
PubChem ID:71330828
Update Time:2025-04-19
2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis-
- 3-[6-(2,4-dioxopentan-3-ylsulfanyl)hexylsulfanyl]pentane-2,4-dione
- 3,3'-(Hexane-1,6-diyldisulfanediyl)di(pentane-2,4-dione)
- DTXSID90759479
- 95332-75-5
-
- Inchi： 1S/C16H26O4S2/c1-11(17)15(12(2)18)21-9-7-5-6-8-10-22-16(13(3)19)14(4)20/h15-16H,5-10H2,1-4H3
- InChI Key： ILVYGHCLBMQHDF-UHFFFAOYSA-N
- SMILES： S(C(C(C)=O)C(C)=O)CCCCCCSC(C(C)=O)C(C)=O
Computed Properties
- Exact Mass: 346.12725165g/mol
- Monoisotopic Mass: 346.12725165g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 341
- 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: 2.4
- Topological Polar Surface Area: 119?2
2,4-Pentanedione, 3,3'-[1,6-hexanediylbis(thio)]bis- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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