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191-92-4 | Benzo[1,2,3-kl:4,5,6-k'l']bisthioxanthene
CAS No: 191-92-4 Catalog No: AG002EZ9 MDL No:
Product Description
Catalog Number:
AG002EZ9
Chemical Name:
Benzo[1,2,3-kl:4,5,6-k'l']bisthioxanthene
CAS Number:
191-92-4
Molecular Formula:
C26H14S2
Molecular Weight:
390.5194
IUPAC Name:
9,22-dithiaheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene
InChI:
InChI=1S/C26H14S2/c1-3-11-19-15(7-1)23-17-9-5-14-22-26(17)24(16-8-2-4-12-20(16)28-22)18-10-6-13-21(27-19)25(18)23/h1-14H
InChI Key:
SMGJTZCWTFYXTL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1c3c(S2)cccc3c2c3c1cccc3Sc1c2cccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.054g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.518g/mol
Monoisotopic Mass:
390.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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