Cas no 113386-21-3 (Thiophene, 2-[(4-methylphenyl)methyl]-)
![Thiophene, 2-[(4-methylphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/113500/113386-21-3x500.png)
113386-21-3 structure
Product Name:Thiophene, 2-[(4-methylphenyl)methyl]-
CAS No:113386-21-3
MF:C12H12S
MW:188.288681983948
CID:1204182
PubChem ID:10845308
Update Time:2025-04-20
Thiophene, 2-[(4-methylphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 2-[(4-methylphenyl)methyl]-
- 2-[(4-methylphenyl)methyl]thiophene
- DTXSID00445674
- KSZBBGSOBWUIOV-UHFFFAOYSA-N
- 2-(4-methylbenzyl)thiophene
- 113386-21-3
- SCHEMBL3385419
-
- Inchi： 1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
- InChI Key： KSZBBGSOBWUIOV-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 188.06597156g/mol
- Monoisotopic Mass: 188.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 3.9
- Topological Polar Surface Area: 28.2?2
Thiophene, 2-[(4-methylphenyl)methyl]- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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