Cas no 88978-24-9 (2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl-)
88978-24-9 structure
Product Name:2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl-
CAS No:88978-24-9
MF:C21H18N2OS
MW:346.445423603058
CID:1935484
PubChem ID:5256888
Update Time:2025-04-21
2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl-
- 1-(4-ethoxyphenyl)-3-phenylbenzimidazole-2-thione
- 88978-24-9
- DTXSID00413717
-
- Inchi： 1S/C21H18N2OS/c1-2-24-18-14-12-17(13-15-18)23-20-11-7-6-10-19(20)22(21(23)25)16-8-4-3-5-9-16/h3-15H,2H2,1H3
- InChI Key： VBFIDASPXSXKOB-UHFFFAOYSA-N
- SMILES： S=C1N(C2C=CC=CC=2)C2C=CC=CC=2N1C1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 346.11398438Da
- Monoisotopic Mass: 346.11398438Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 457
- 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: 5
- Topological Polar Surface Area: 47.8?2
2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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