Cas no 90534-51-3 (Benzene, 1,3-dimethyl-5-(methylsulfonyl)-)
90534-51-3 structure
Product Name:Benzene, 1,3-dimethyl-5-(methylsulfonyl)-
CAS No:90534-51-3
MF:C9H12O2S
MW:184.255381584167
CID:788648
PubChem ID:2758620
Update Time:2025-04-19
Benzene, 1,3-dimethyl-5-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dimethyl-5-(methylsulfonyl)-
- 1,3-dimethyl-5-methylsulfonylbenzene
- 1,3-dimethyl-5-(methylsulfonyl)benzene
- AKOS006278643
- SCHEMBL3507953
- DTXSID40374419
- WFAZVYPWTNRENH-UHFFFAOYSA-N
- 1-Methanesulfonyl-3,5-dimethyl-benzene
- 90534-51-3
- 3,5-Dimethylphenylmethylsulfone
-
- MDL： MFCD03789179
- Inchi： 1S/C9H12O2S/c1-7-4-8(2)6-9(5-7)12(3,10)11/h4-6H,1-3H3
- InChI Key： WFAZVYPWTNRENH-UHFFFAOYSA-N
- SMILES： S(C)(C1C=C(C)C=C(C)C=1)(=O)=O
Computed Properties
- Exact Mass: 184.056
- Monoisotopic Mass: 184.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 228
- 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: 1.9
- Topological Polar Surface Area: 42.5?2
Benzene, 1,3-dimethyl-5-(methylsulfonyl)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
90534-51-3 (Benzene, 1,3-dimethyl-5-(methylsulfonyl)-) Related Products
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