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101306-10-9 | Thiophene, 3,4-diethyl-2,5-diphenyl-
CAS No: 101306-10-9 Catalog No: AG00047E MDL No:
Product Description
Catalog Number:
AG00047E
Chemical Name:
Thiophene, 3,4-diethyl-2,5-diphenyl-
CAS Number:
101306-10-9
Molecular Formula:
C20H20S
Molecular Weight:
292.4378
IUPAC Name:
3,4-diethyl-2,5-diphenylthiophene
InChI:
InChI=1S/C20H20S/c1-3-17-18(4-2)20(16-13-9-6-10-14-16)21-19(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChI Key:
DFPDXKJFCKLSMX-UHFFFAOYSA-N
SMILES:
CCc1c(sc(c1CC)c1ccccc1)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.44g/mol
Monoisotopic Mass:
292.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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