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144153-62-8 | 1,4-Butanedione, 1,1'-(2,5-thiophenediyl)bis[4-(2-thienyl)- (9CI)
CAS No: 144153-62-8 Catalog No: AG001J0P MDL No:
Product Description
Catalog Number:
AG001J0P
Chemical Name:
1,4-Butanedione, 1,1'-(2,5-thiophenediyl)bis[4-(2-thienyl)- (9CI)
CAS Number:
144153-62-8
Molecular Formula:
C20H16O4S3
Molecular Weight:
416.5336
IUPAC Name:
1-[5-(4-oxo-4-thiophen-2-ylbutanoyl)thiophen-2-yl]-4-thiophen-2-ylbutane-1,4-dione
InChI:
InChI=1S/C20H16O4S3/c21-13(17-3-1-11-25-17)5-7-15(23)19-9-10-20(27-19)16(24)8-6-14(22)18-4-2-12-26-18/h1-4,9-12H,5-8H2
InChI Key:
HZIWAVNCNBXWIJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(s1)C(=O)CCC(=O)c1cccs1)CCC(=O)c1cccs1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.021g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.524g/mol
Monoisotopic Mass:
416.021g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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