Cas no 646450-29-5 (Phenanthrene, 9-[(4-methylphenyl)sulfonyl]-)
![Phenanthrene, 9-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/646500/646450-29-5x500.png)
646450-29-5 structure
Product Name:Phenanthrene, 9-[(4-methylphenyl)sulfonyl]-
CAS No:646450-29-5
MF:C21H16O2S
MW:332.415544509888
CID:420898
PubChem ID:4695577
Update Time:2025-04-19
Phenanthrene, 9-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene, 9-[(4-methylphenyl)sulfonyl]-
- 9-(4-methylphenyl)sulfonylphenanthrene
- DTXSID00405652
- 646450-29-5
- 9-(TOLUENE-4-SULFONYL)-PHENANTHRENE
- AKOS024331706
-
- Inchi： 1S/C21H16O2S/c1-15-10-12-17(13-11-15)24(22,23)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3
- InChI Key： MIJBJLNGPGSHDY-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(C1=CC2C=CC=CC=2C2C=CC=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 332.08718
- Monoisotopic Mass: 332.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 527
- 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: 5.6
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Phenanthrene, 9-[(4-methylphenyl)sulfonyl]- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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