Cas no 67168-90-5 (Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]-)
![Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]- structure](https://ossimg.kuujia.com/scimg/67500/67168-90-5x500.png)
67168-90-5 structure
Product Name:Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]-
CAS No:67168-90-5
MF:C18H16O2S
MW:296.383443832397
CID:395246
PubChem ID:5314252
Update Time:2025-04-19
Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]-
- 1-(benzylsulfonylmethyl)naphthalene
- 1-naphthylmethyl benzyl sulfone
- ghl.PD_Mitscher_leg0.284
- DTXSID50415640
- 67168-90-5
-
- Inchi： 1S/C18H16O2S/c19-21(20,13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2
- InChI Key： ZWXWUGKRYZWTPN-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)(CC1=CC=CC2C=CC=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 296.08700
- Monoisotopic Mass: 296.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 417
- 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: 3.9
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 42.52000
- LogP: 5.03560
Naphthalene, 1-[[(phenylmethyl)sulfonyl]methyl]- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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