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116579-59-0 | Pyridine, 2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-(methylthio)-
CAS No: 116579-59-0 Catalog No: AG000CTQ MDL No:
Product Description
Catalog Number:
AG000CTQ
Chemical Name:
Pyridine, 2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-(methylthio)-
CAS Number:
116579-59-0
Molecular Formula:
C18H13Cl2NS
Molecular Weight:
346.2735
IUPAC Name:
2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
InChI:
InChI=1S/C18H13Cl2NS/c1-22-16-10-17(12-5-7-14(19)8-6-12)21-18(11-16)13-3-2-4-15(20)9-13/h2-11H,1H3
InChI Key:
TZPXHRMBQUCPNW-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1cccc(c1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.015g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.269g/mol
Monoisotopic Mass:
345.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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