Cas no 89556-10-5 (Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-)
89556-10-5 structure
Product Name:Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-
CAS No:89556-10-5
MF:C8H7BrS
MW:215.110180139542
CID:596711
PubChem ID:13167529
Update Time:2025-04-19
Thiophene, 3-bromo-5-methyl-2-(1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-
- 3-bromo-5-methyl-2-prop-1-ynylthiophene
- 3-Bromo-5-methyl-2-(prop-1-yn-1-yl)thiophene
- DTXSID10524267
- 89556-10-5
-
- Inchi: 1S/C8H7BrS/c1-3-4-8-7(9)5-6(2)10-8/h5H,1-2H3
- InChI Key: XDBGRBIFEVDQEE-UHFFFAOYSA-N
- SMILES: BrC1=C(C#CC)SC(C)=C1
Computed Properties
- Exact Mass: 213.94518g/mol
- Monoisotopic Mass: 213.94518g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 3.5
- Topological Polar Surface Area: 28.2?2
Thiophene, 3-bromo-5-methyl-2-(1-propynyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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