Cas no 821782-18-7 (Ethanol, 2-[2-[2-[(2,5-dibromo-3-thienyl)methoxy]ethoxy]ethoxy]-)
821782-18-7 structure
Product Name:Ethanol, 2-[2-[2-[(2,5-dibromo-3-thienyl)methoxy]ethoxy]ethoxy]-
CAS No:821782-18-7
MF:C11H16Br2O4S
MW:404.115341186523
CID:697013
PubChem ID:71419861
Update Time:2025-04-19
Ethanol, 2-[2-[2-[(2,5-dibromo-3-thienyl)methoxy]ethoxy]ethoxy]- Chemical and Physical Properties
Names and Identifiers
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- Ethanol, 2-[2-[2-[(2,5-dibromo-3-thienyl)methoxy]ethoxy]ethoxy]-
- 2-[2-[2-[(2,5-dibromothiophen-3-yl)methoxy]ethoxy]ethoxy]ethanol
- DTXSID20839076
- 821782-18-7
- 2-(2-(2-((2,5-Dibromothiophen-3-yl)methoxy)ethoxy)ethoxy)ethanol
- 2-(2-{2-[(2,5-Dibromothiophen-3-yl)methoxy]ethoxy}ethoxy)ethan-1-ol
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- Inchi: 1S/C11H16Br2O4S/c12-10-7-9(11(13)18-10)8-17-6-5-16-4-3-15-2-1-14/h7,14H,1-6,8H2
- InChI Key: ROLHRVKKHJLJRQ-UHFFFAOYSA-N
- SMILES: BrC1=C(C=C(S1)Br)COCCOCCOCCO
Computed Properties
- Exact Mass: 403.91156g/mol
- Monoisotopic Mass: 401.91361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 212
- 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: 76.2?2
Ethanol, 2-[2-[2-[(2,5-dibromo-3-thienyl)methoxy]ethoxy]ethoxy]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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