Cas no 5705-70-4 ( )
structure
Product Name:
CAS No:5705-70-4
MF:C26H18OS
MW:378.485525608063
CID:946412
PubChem ID:264431
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40295079
- NSC99529
- 1-benzothiophen-2-yl[2-(naphthalen-1-ylmethyl)phenyl]methanone
- 5705-70-4
- NSC-99529
-
-
- Inchi： 1S/C26H18OS/c27-26(25-17-21-10-3-6-15-24(21)28-25)23-14-5-2-9-20(23)16-19-12-7-11-18-8-1-4-13-22(18)19/h1-15,17H,16H2
- InChI Key： SMAXRHLMSYBSRN-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C=C1C(C1=CC=CC=C1CC1=CC=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 378.10794
- Monoisotopic Mass: 378.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 545
- 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: 7.8
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- Density: 1.242
- Boiling Point: 605.4°C at 760 mmHg
- Flash Point: 319.9°C
- Refractive Index: 1.712
- PSA: 17.07
- LogP: 6.87630
Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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