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697803-01-3 | Thianthrene, 2,7-bis(4-methylphenoxy)-
CAS No: 697803-01-3 Catalog No: AG005I01 MDL No:
Product Description
Catalog Number:
AG005I01
Chemical Name:
Thianthrene, 2,7-bis(4-methylphenoxy)-
CAS Number:
697803-01-3
Molecular Formula:
C26H20O2S2
Molecular Weight:
428.5658
IUPAC Name:
2,7-bis(4-methylphenoxy)thianthrene
InChI:
InChI=1S/C26H20O2S2/c1-17-3-7-19(8-4-17)27-21-11-13-23-25(15-21)29-24-14-12-22(16-26(24)30-23)28-20-9-5-18(2)6-10-20/h3-16H,1-2H3
InChI Key:
XBYVBRXJBBEXMT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ccc2c(c1)Sc1c(S2)cc(cc1)Oc1ccc(cc1)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.09g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.564g/mol
Monoisotopic Mass:
428.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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