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13792-96-6 | Thiophene, 2,2',2''-(1,3,5-benzenetriyl)tris[5-methyl-
CAS No: 13792-96-6 Catalog No: AG001442 MDL No:
Product Description
Catalog Number:
AG001442
Chemical Name:
Thiophene, 2,2',2''-(1,3,5-benzenetriyl)tris[5-methyl-
CAS Number:
13792-96-6
Molecular Formula:
C21H18S3
Molecular Weight:
366.5626
IUPAC Name:
2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene
InChI:
InChI=1S/C21H18S3/c1-13-4-7-19(22-13)16-10-17(20-8-5-14(2)23-20)12-18(11-16)21-9-6-15(3)24-21/h4-12H,1-3H3
InChI Key:
ITFDKHNDSGLLIY-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1cc(cc(c1)c1ccc(s1)C)c1ccc(s1)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.555g/mol
Monoisotopic Mass:
366.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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