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89003-21-4 | Thiophene, 3-methyl-4,5-diphenyl-2-[(phenylmethyl)thio]-
CAS No: 89003-21-4 Catalog No: AG0045L6 MDL No:
Product Description
Catalog Number:
AG0045L6
Chemical Name:
Thiophene, 3-methyl-4,5-diphenyl-2-[(phenylmethyl)thio]-
CAS Number:
89003-21-4
Molecular Formula:
C24H20S2
Molecular Weight:
372.5456
IUPAC Name:
2-benzylsulfanyl-3-methyl-4,5-diphenylthiophene
InChI:
InChI=1S/C24H20S2/c1-18-22(20-13-7-3-8-14-20)23(21-15-9-4-10-16-21)26-24(18)25-17-19-11-5-2-6-12-19/h2-16H,17H2,1H3
InChI Key:
KWLZZUXWYBUVTK-UHFFFAOYSA-N
SMILES:
Cc1c(SCc2ccccc2)sc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.544g/mol
Monoisotopic Mass:
372.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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