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89036-25-9 | Thiophene, 5-pentyl-3-phenyl-2-(phenylmethyl)-
CAS No: 89036-25-9 Catalog No: AG00428K MDL No:
Product Description
Catalog Number:
AG00428K
Chemical Name:
Thiophene, 5-pentyl-3-phenyl-2-(phenylmethyl)-
CAS Number:
89036-25-9
Molecular Formula:
C22H24S
Molecular Weight:
320.4910
IUPAC Name:
2-benzyl-5-pentyl-3-phenylthiophene
InChI:
InChI=1S/C22H24S/c1-2-3-6-15-20-17-21(19-13-9-5-10-14-19)22(23-20)16-18-11-7-4-8-12-18/h4-5,7-14,17H,2-3,6,15-16H2,1H3
InChI Key:
SSEYUOMNEMWDIM-UHFFFAOYSA-N
SMILES:
CCCCCc1sc(c(c1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.16g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.494g/mol
Monoisotopic Mass:
320.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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