Cas no 7598-30-3 ( )
structure
Product Name:
CAS No:7598-30-3
MF:C22H22O3S
MW:366.473285198212
CID:982272
PubChem ID:346082
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [4-(2-phenylpropan-2-yl)phenyl] 4-methylbenzenesulfonate
- 2-(4-p-Toluolsulfonyloxyphenyl)-2-phenylpropan
- AC1L846W
- NSC404106
- 7598-30-3
- NSC 404106
- SCHEMBL2689561
- DTXSID10323494
- NSC-404106
-
-
- Inchi： 1S/C22H22O3S/c1-17-9-15-21(16-10-17)26(23,24)25-20-13-11-19(12-14-20)22(2,3)18-7-5-4-6-8-18/h4-16H,1-3H3
- InChI Key： ARGGMTMMHAJLLT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC1C=CC(=CC=1)C(C)(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 366.12906
- Monoisotopic Mass: 366.12896573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 526
- 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: 6.2
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
- LogP: 6.16940
Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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