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1000576-21-5 | 3-(4-Bromophenyl)-6-phenyl-2H-thiopyran-2-thione
CAS No: 1000576-21-5 Catalog No: AG01F9ER MDL No:
Product Description
Catalog Number:
AG01F9ER
Chemical Name:
3-(4-Bromophenyl)-6-phenyl-2H-thiopyran-2-thione
CAS Number:
1000576-21-5
Molecular Formula:
C17H11BrS2
Molecular Weight:
359.3032
IUPAC Name:
3-(4-bromophenyl)-6-phenylthiopyran-2-thione
InChI:
InChI=1S/C17H11BrS2/c18-14-8-6-12(7-9-14)15-10-11-16(20-17(15)19)13-4-2-1-3-5-13/h1-11H
InChI Key:
TXZYFCUWWXEQPM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(sc1=S)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.949g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.299g/mol
Monoisotopic Mass:
357.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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