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14659-11-1 | 3H-1,2-Dithiole-3-thione, 5-(4-bromophenyl)-
CAS No: 14659-11-1 Catalog No: AG001E6E MDL No:MFCD05863297
Product Description
Catalog Number:
AG001E6E
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(4-bromophenyl)-
CAS Number:
14659-11-1
Molecular Formula:
C9H5BrS3
Molecular Weight:
289.2350
MDL Number:
MFCD05863297
IUPAC Name:
5-(4-bromophenyl)dithiole-3-thione
InChI:
InChI=1S/C9H5BrS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H
InChI Key:
MHNGECZIVWUASC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ssc(=S)c1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.874g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.223g/mol
Monoisotopic Mass:
287.874g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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