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6957-43-3 | Cinnoline,4,6-bis[(phenylmethyl)thio]-
CAS No: 6957-43-3 Catalog No: AG005K4O MDL No:
Product Description
Catalog Number:
AG005K4O
Chemical Name:
Cinnoline,4,6-bis[(phenylmethyl)thio]-
CAS Number:
6957-43-3
Molecular Formula:
C22H18N2S2
Molecular Weight:
374.5217
IUPAC Name:
4,6-bis(benzylsulfanyl)cinnoline
InChI:
InChI=1S/C22H18N2S2/c1-3-7-17(8-4-1)15-25-19-11-12-21-20(13-19)22(14-23-24-21)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key:
XQMJVNPACMENQI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1ccc2c(c1)c(cnn2)SCc1ccccc1
NSC Number:
66129
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.52g/mol
Monoisotopic Mass:
374.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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