4H-Dithieno[3,2-b:2',3'-d]pyrrole, 4-octyl-


Chemical Name: 4H-Dithieno[3,2-b:2',3'-d]pyrrole, 4-octyl-
CAS Number: 141029-75-6
Product Number: AG009FE8(AGN-PC-0NERYV)
Synonyms:
MDL No:
Molecular Formula: C16H21NS2
Molecular Weight: 291.4746

Identification/Properties


Computed Properties
Molecular Weight:
291.471g/mol
XLogP3:
6.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
291.112g/mol
Monoisotopic Mass:
291.112g/mol
Topological Polar Surface Area:
61.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
264
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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