Cas no 63261-28-9 ( )
structure
Product Name:
CAS No:63261-28-9
MF:C18H22O4S
MW:334.429884433746
CID:959576
PubChem ID:322757
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2-hydroxy-3,5-dimethylphenyl)methylsulfonylmethyl]-4,6-dimethylphenol
- 63261-28-9
- CHEMBL1814534
- 2-[(2-Hydroxy-3,5-dimethyl-phenyl)methylsulfonylmethyl]-4,6-dimethyl-phenol
- DTXSID20314156
- NSC-280880
- NSC280880
- DS-012676
-
-
- Inchi： 1S/C18H22O4S/c1-11-5-13(3)17(19)15(7-11)9-23(21,22)10-16-8-12(2)6-14(4)18(16)20/h5-8,19-20H,9-10H2,1-4H3
- InChI Key： BFKKBHXWUBYAEB-UHFFFAOYSA-N
- SMILES： S(CC1C=C(C)C=C(C)C=1O)(CC1C=C(C)C=C(C)C=1O)(=O)=O
Computed Properties
- Exact Mass: 334.12396
- Monoisotopic Mass: 334.12388035g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 446
- 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: 3.3
- Topological Polar Surface Area: 83?2
Experimental Properties
- PSA: 74.6
Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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