4,8-dioctoxythieno[2,3-f][1]benzothiole


Chemical Name: 4,8-dioctoxythieno[2,3-f][1]benzothiole
CAS Number: 1098102-94-3
Product Number: AG00945X(AGN-PC-0CB6ZM)
Synonyms:
MDL No:
Molecular Formula: C26H38O2S2
Molecular Weight: 446.7087

Identification/Properties


Computed Properties
Molecular Weight:
446.708g/mol
XLogP3:
10.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
16
Exact Mass:
446.231g/mol
Monoisotopic Mass:
446.231g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
407
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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