Cas no 41480-07-3 (3-methylphenyl benzenesulfonate)
41480-07-3 structure
Product Name:3-methylphenyl benzenesulfonate
CAS No:41480-07-3
MF:C13H12O3S
MW:248.297582626343
CID:927006
PubChem ID:347808
Update Time:2025-04-19
3-methylphenyl benzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 3-methylphenyl benzenesulfonate
- (3-methylphenyl) benzenesulfonate
- 3-Benzolsulfonyloxy-toluol
- AC1L885K
- benzenesulfonic acid m-tolyl ester
- Benzolsulfonsaeure-m-tolylester
- NSC406672
- m-tolyl benzenesulphonate
- SCHEMBL4127164
- NSC-406672
- Benzenesulfonic acid, m-tolyl ester
- 41480-07-3
- DTXSID40324419
- m-tolyl benzenesulfonate
-
- Inchi： 1S/C13H12O3S/c1-11-6-5-7-12(10-11)16-17(14,15)13-8-3-2-4-9-13/h2-10H,1H3
- InChI Key： STHKCLFVJLLODK-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(=O)(=O)OC1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 248.05076
- Monoisotopic Mass: 248.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 325
- 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: 3.4
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
- LogP: 3.84350
3-methylphenyl benzenesulfonate Related Literature
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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