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1137-43-5 | Methanethione, (4-bromophenyl)phenyl-
CAS No: 1137-43-5 Catalog No: AG0009D6 MDL No:
Product Description
Catalog Number:
AG0009D6
Chemical Name:
Methanethione, (4-bromophenyl)phenyl-
CAS Number:
1137-43-5
Molecular Formula:
C13H9BrS
Molecular Weight:
277.1796
IUPAC Name:
(4-bromophenyl)-phenylmethanethione
InChI:
InChI=1S/C13H9BrS/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChI Key:
IRNGLAYMEIDCPU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=S)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.961g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.179g/mol
Monoisotopic Mass:
275.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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