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2-Phenylthiophenol

CAS No.:
2688-96-2
Catalog Number:
AG00BFK0
Molecular Formula:
C12H10S
Molecular Weight:
186.2728
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Product Description
Catalog Number:
AG00BFK0
Chemical Name:
2-Phenylthiophenol
CAS Number:
2688-96-2
Molecular Formula:
C12H10S
Molecular Weight:
186.2728
MDL Number:
MFCD03840407
IUPAC Name:
2-phenylbenzenethiol
InChI:
InChI=1S/C12H10S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
InChI Key:
UECUPGFJVNJNQA-UHFFFAOYSA-N
SMILES:
Sc1ccccc1c1ccccc1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.272g/mol
Monoisotopic Mass:
186.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Multiscale charge injection and transport properties in self-assembled monolayers of biphenyl thiols with varying torsion angles. Chemistry (Weinheim an der Bergstrasse, Germany) 20120813
Unique ordered domains of biphenylthiol self-assembled monolayers on Au(111). Journal of nanoscience and nanotechnology 20120101
First-principles investigation of electron-induced cross-linking of aromatic self-assembled monolayers on Au(111). Physical chemistry chemical physics : PCCP 20100221
Towards an accurate description of the electronic properties of the biphenylthiol/gold interface: the role of exact exchange. The Journal of chemical physics 20091221
Understanding the electronic structure of metal/SAM/organic-semiconductor heterojunctions. ACS nano 20091124
Mechanistic insights on the hydrodesulfurization of biphenyl-2-thiol with nickel compounds. Journal of the American Chemical Society 20090325
Structured and gradient polymer brushes from biphenylthiol self-assembled monolayers by self-initiated photografting and photopolymerization (SIPGP). Langmuir : the ACS journal of surfaces and colloids 20090217
Relaxation dynamics and transient behavior of small arenethiol passivated gold nanoparticles. The journal of physical chemistry. B 20060330
Structure of mercaptobiphenyl monolayers on mercury. The journal of physical chemistry. B 20050630
Properties