Cas no 16939-16-5 (2-methyl-3-phenylthiophene)
2-methyl-3-phenylthiophene structure
Product Name:2-methyl-3-phenylthiophene
CAS No:16939-16-5
MF:C11H10S
MW:174.262101650238
CID:905157
PubChem ID:2775308
Update Time:2025-04-19
2-methyl-3-phenylthiophene Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-3-phenylthiophene
- 2-Methyl-3-phenyl-thiophen
- 2-methyl-3-phenyl-thiophene
- 3-Phenyl-2-methyl-thiophen
- methyl-3-phenylthiophene
- CZEDCCWCCIETGI-UHFFFAOYSA-N
- DTXSID90379515
- SCHEMBL1825367
- 3-phenyl-2-methylthiophene
- 16939-16-5
-
- Inchi： 1S/C11H10S/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： CZEDCCWCCIETGI-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 174.05000
- Monoisotopic Mass: 174.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 138
- 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: 3.6
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.24000
- LogP: 3.72350
2-methyl-3-phenylthiophene Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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