Cas no 552857-06-4 (2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine)
![2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine structure](https://ossimg.kuujia.com/scimg/553000/552857-06-4x500.png)
552857-06-4 structure
Product Name:2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CAS No:552857-06-4
MF:C10H14O2S
MW:198.281961917877
CID:2200475
PubChem ID:22486049
Update Time:2025-04-21
2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine Chemical and Physical Properties
Names and Identifiers
-
- 2-Butyl-2,3-dihydrothieno[3,4-b]-1,4-dioxine
- 552857-06-4
- 2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
- SCHEMBL419849
-
- Inchi： 1S/C10H14O2S/c1-2-3-4-8-5-11-9-6-13-7-10(9)12-8/h6-8H,2-5H2,1H3
- InChI Key： NNIKSVAOFGELNT-UHFFFAOYSA-N
- SMILES： S1C=C2C(=C1)OC(CO2)CCCC
Computed Properties
- Exact Mass: 198.07145086Da
- Monoisotopic Mass: 198.07145086Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 46.7?2
Experimental Properties
- Density: 1.111±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 269.7±19.0 oC (760 Torr),
- Flash Point: 116.9±21.5 oC,
- Solubility: Almost insoluble (0.05 g/l) (25 o C),
2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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