Cas no 57536-25-1 (Benzenemethanol, 2-(2-naphthalenylthio)-)
57536-25-1 structure
Product Name:Benzenemethanol, 2-(2-naphthalenylthio)-
CAS No:57536-25-1
MF:C17H14OS
MW:266.357463359833
CID:345006
PubChem ID:12228097
Update Time:2025-04-19
Benzenemethanol, 2-(2-naphthalenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-(2-naphthalenylthio)-
- (2-naphthalen-2-ylsulfanylphenyl)methanol
- [2-(2-naphthylthio)phenyl]methanol
- SCHEMBL5658428
- AKOS013148397
- DTXSID00481395
- 57536-25-1
- NFDFYKIGQMGNPY-UHFFFAOYSA-N
-
- Inchi： 1S/C17H14OS/c18-12-15-7-3-4-8-17(15)19-16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2
- InChI Key： NFDFYKIGQMGNPY-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CO)C1=CC=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 266.07662
- Monoisotopic Mass: 266.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 4.4
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 20.23
Benzenemethanol, 2-(2-naphthalenylthio)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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