Cas no 54682-59-6 (9H-Carbazole, 3-methyl-9-(phenylsulfonyl)-)
54682-59-6 structure
Product Name:9H-Carbazole, 3-methyl-9-(phenylsulfonyl)-
CAS No:54682-59-6
MF:C19H15NO2S
MW:321.39290356636
CID:1590456
PubChem ID:14197500
Update Time:2025-04-21
9H-Carbazole, 3-methyl-9-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Carbazole, 3-methyl-9-(phenylsulfonyl)-
- 54682-59-6
- 3-methyl-9-(phenylsulfonyl)-9H-carbazole
-
- Inchi： 1S/C19H15NO2S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)23(21,22)15-7-3-2-4-8-15/h2-13H,1H3
- InChI Key： FATVWABOWXWXLR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C2C=CC=CC=2C2=CC(C)=CC=C12)(=O)=O
Computed Properties
- Exact Mass: 321.08245
- Monoisotopic Mass: 321.08234989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 520
- 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: 4.9
- Topological Polar Surface Area: 47.4?2
Experimental Properties
- PSA: 39.07
9H-Carbazole, 3-methyl-9-(phenylsulfonyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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