Cas no 45752-18-9 (1-Methyl-1-benzothiophen-1-ium)
45752-18-9 structure
Product Name:1-Methyl-1-benzothiophen-1-ium
CAS No:45752-18-9
MF:C9H9S
MW:149.232761144638
CID:2828108
PubChem ID:13743300
Update Time:2025-04-21
1-Methyl-1-benzothiophen-1-ium Chemical and Physical Properties
Names and Identifiers
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- DTXSID10548226
- SCHEMBL12959912
- 45752-18-9
- 1-Methyl-1-benzothiophen-1-ium
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- Inchi： 1S/C9H9S/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3/q+1
- InChI Key： RCHVMVBFJXARNB-UHFFFAOYSA-N
- SMILES： [S+]1(C)C=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 149.04249646g/mol
- Monoisotopic Mass: 149.04249646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 151
- 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: 2.6
- Topological Polar Surface Area: 1?2
1-Methyl-1-benzothiophen-1-ium Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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