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173448-32-3 | 2,2':5',2''-Terthiophene, 3'-hexyl-
CAS No: 173448-32-3 Catalog No: AG001YXI MDL No:
Product Description
Catalog Number:
AG001YXI
Chemical Name:
2,2':5',2''-Terthiophene, 3'-hexyl-
CAS Number:
173448-32-3
Molecular Formula:
C18H20S3
Molecular Weight:
332.5464
IUPAC Name:
3-hexyl-2,5-dithiophen-2-ylthiophene
InChI:
InChI=1S/C18H20S3/c1-2-3-4-5-8-14-13-17(15-9-6-11-19-15)21-18(14)16-10-7-12-20-16/h6-7,9-13H,2-5,8H2,1H3
InChI Key:
YTVFFHNAOQSJOY-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1c1cccs1)c1cccs1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.538g/mol
Monoisotopic Mass:
332.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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