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1146-44-7 | Benzenesulfonothioic acid, 4-chloro-, S-(4-chlorophenyl) ester
CAS No: 1146-44-7 Catalog No: AG000ES1 MDL No:
Product Description
Catalog Number:
AG000ES1
Chemical Name:
Benzenesulfonothioic acid, 4-chloro-, S-(4-chlorophenyl) ester
CAS Number:
1146-44-7
Molecular Formula:
C12H8Cl2O2S2
Molecular Weight:
319.2267
IUPAC Name:
1-chloro-4-(4-chlorophenyl)sulfonylsulfanylbenzene
InChI:
InChI=1S/C12H8Cl2O2S2/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChI Key:
HKRKZYSYVNYGRL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.214g/mol
Monoisotopic Mass:
317.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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