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126045-46-3 | Thiophene, 2,2'-(phenylmethylene)bis[5-methyl-
CAS No: 126045-46-3 Catalog No: AG000QUH MDL No:
Product Description
Catalog Number:
AG000QUH
Chemical Name:
Thiophene, 2,2'-(phenylmethylene)bis[5-methyl-
CAS Number:
126045-46-3
Molecular Formula:
C17H16S2
Molecular Weight:
284.4389
IUPAC Name:
2-methyl-5-[(5-methylthiophen-2-yl)-phenylmethyl]thiophene
InChI:
InChI=1S/C17H16S2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,17H,1-2H3
InChI Key:
QNMVACRLWXFDIH-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(c1ccc(s1)C)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.435g/mol
Monoisotopic Mass:
284.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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