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935280-42-5 |
CAS No: 935280-42-5 Catalog No: AG01FL22 MDL No:
Product Description
Catalog Number:
AG01FL22
CAS Number:
935280-42-5
IUPAC Name:
12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
InChI:
InChI=1S/C22H12S2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H
InChI Key:
CZWHMRTTWFJMBC-UHFFFAOYSA-N
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.458g/mol
Monoisotopic Mass:
340.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| From computational discovery to experimental characterization of a high hole mobility organic crystal. | Nature communications 20110816 |
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