Home Other Building Blocks Benzenethiol, 4,4'-oxybis-

Benzenethiol, 4,4'-oxybis-

CAS No.:
17527-79-6
Catalog Number:
AG0020R3
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
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Product Description
Catalog Number:
AG0020R3
Chemical Name:
Benzenethiol, 4,4'-oxybis-
CAS Number:
17527-79-6
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
MDL Number:
MFCD00054506
IUPAC Name:
4-(4-sulfanylphenoxy)benzenethiol
InChI:
InChI=1S/C12H10OS2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14-15H
InChI Key:
WREGWRFRXHKFGE-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)Oc1ccc(cc1)S
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.331g/mol
Monoisotopic Mass:
234.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
11.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Measurement of the conductance of single conjugated molecules. Nature 20050804
Properties