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17527-79-6 | Benzenethiol, 4,4'-oxybis-
CAS No: 17527-79-6 Catalog No: AG0020R3 MDL No:
Product Description
Catalog Number:
AG0020R3
Chemical Name:
Benzenethiol, 4,4'-oxybis-
CAS Number:
17527-79-6
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
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 |
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