2,6-dibromo-4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole


Chemical Name: 2,6-dibromo-4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole
CAS Number: 1226782-13-3
Product Number: AG0017MF(AGN-PC-093FH6)
Synonyms:
MDL No:
Molecular Formula: C26H36Br2O2S2
Molecular Weight: 604.5008

Identification/Properties


Computed Properties
Molecular Weight:
604.5g/mol
XLogP3:
12.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
14
Exact Mass:
604.05g/mol
Monoisotopic Mass:
602.052g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
494
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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