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163083-15-6 | Thiophene, 2,5-diphenyl-, 1-oxide
CAS No: 163083-15-6 Catalog No: AG001TOT MDL No:
Product Description
Catalog Number:
AG001TOT
Chemical Name:
Thiophene, 2,5-diphenyl-, 1-oxide
CAS Number:
163083-15-6
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
2,5-diphenylthiophene 1-oxide
InChI:
InChI=1S/C16H12OS/c17-18-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H
InChI Key:
LZGCHLCGXJOZKL-UHFFFAOYSA-N
SMILES:
O=s1c(ccc1c1ccccc1)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.331g/mol
Monoisotopic Mass:
252.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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