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101439-14-9 | 4H-Pyran-4-thione, 2-(4-bromophenyl)-6-phenyl-
CAS No: 101439-14-9 Catalog No: AG0004H8 MDL No:
Product Description
Catalog Number:
AG0004H8
Chemical Name:
4H-Pyran-4-thione, 2-(4-bromophenyl)-6-phenyl-
CAS Number:
101439-14-9
Molecular Formula:
C17H11BrOS
Molecular Weight:
343.2376
IUPAC Name:
2-(4-bromophenyl)-6-phenylpyran-4-thione
InChI:
InChI=1S/C17H11BrOS/c18-14-8-6-13(7-9-14)17-11-15(20)10-16(19-17)12-4-2-1-3-5-12/h1-11H
InChI Key:
PCYRQPSNDCWCNS-UHFFFAOYSA-N
SMILES:
S=c1cc(oc(c1)c1ccccc1)c1ccc(cc1)Br
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.971g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.238g/mol
Monoisotopic Mass:
341.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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