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116159-97-8 | 2,2':5',2''-Terthiophene, 3,4',4''-trimethyl- (9CI)
CAS No: 116159-97-8 Catalog No: AG000BRE MDL No:
Product Description
Catalog Number:
AG000BRE
Chemical Name:
2,2':5',2''-Terthiophene, 3,4',4''-trimethyl- (9CI)
CAS Number:
116159-97-8
Molecular Formula:
C15H14S3
Molecular Weight:
290.4667
IUPAC Name:
3-methyl-5-(3-methylthiophen-2-yl)-2-(4-methylthiophen-2-yl)thiophene
InChI:
InChI=1S/C15H14S3/c1-9-6-12(17-8-9)15-11(3)7-13(18-15)14-10(2)4-5-16-14/h4-8H,1-3H3
InChI Key:
SOKNMKYBMHYZJN-UHFFFAOYSA-N
SMILES:
Cc1csc(c1)c1sc(cc1C)c1sccc1C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.457g/mol
Monoisotopic Mass:
290.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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