Cas no 57536-28-4 (Benzeneacetic acid, 2-(2-naphthalenylthio)-)
57536-28-4 structure
Product Name:Benzeneacetic acid, 2-(2-naphthalenylthio)-
CAS No:57536-28-4
MF:C18H14O2S
MW:294.367563724518
CID:345003
PubChem ID:12228100
Update Time:2025-04-19
Benzeneacetic acid, 2-(2-naphthalenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-(2-naphthalenylthio)-
- 2-(2-naphthalen-2-ylsulfanylphenyl)acetic acid
- DTXSID80481398
- 57536-28-4
- SCHEMBL5658878
- 2-[2-(naphthalen-2-ylsulfanyl)phenyl]acetic acid
- 2-(2-(Naphthalen-2-ylthio)phenyl)acetic acid
-
- Inchi： 1S/C18H14O2S/c19-18(20)12-15-7-3-4-8-17(15)21-16-10-9-13-5-1-2-6-14(13)11-16/h1-11H,12H2,(H,19,20)
- InChI Key： XCHBLJCDPWRGOB-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)C1=CC=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 294.07152
- Monoisotopic Mass: 294.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 357
- 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: 4.7
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid, 2-(2-naphthalenylthio)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
57536-28-4 (Benzeneacetic acid, 2-(2-naphthalenylthio)-) Related Products
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