Cas no 6909-65-5 (1,3-Dioxolane, 2-(5-bromo-2-thienyl)-2-methyl-)
6909-65-5 structure
Product Name:1,3-Dioxolane, 2-(5-bromo-2-thienyl)-2-methyl-
CAS No:6909-65-5
MF:C8H9BrO2S
MW:249.124860525131
CID:392237
PubChem ID:11096959
Update Time:2025-04-19
1,3-Dioxolane, 2-(5-bromo-2-thienyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 2-(5-bromo-2-thienyl)-2-methyl-
- 2-(5-bromothiophen-2-yl)-2-methyl-1,3-dioxolane
- SCHEMBL20486312
- DTXSID80455130
- 6909-65-5
-
- Inchi： 1S/C8H9BrO2S/c1-8(10-4-5-11-8)6-2-3-7(9)12-6/h2-3H,4-5H2,1H3
- InChI Key： KRLVYXTZWKBHDG-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2(C)OCCO2)S1
Computed Properties
- Exact Mass: 247.95066g/mol
- Monoisotopic Mass: 247.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 170
- 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: 2.3
- Topological Polar Surface Area: 46.7?2
1,3-Dioxolane, 2-(5-bromo-2-thienyl)-2-methyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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