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89477-95-2 | 1,4-Naphthalenedione, 2-[(4-chlorophenyl)thio]-3-[(4-methylphenyl)thio]-
CAS No: 89477-95-2 Catalog No: AG0041VO MDL No:
Product Description
Catalog Number:
AG0041VO
Chemical Name:
1,4-Naphthalenedione, 2-[(4-chlorophenyl)thio]-3-[(4-methylphenyl)thio]-
CAS Number:
89477-95-2
Molecular Formula:
C23H15ClO2S2
Molecular Weight:
422.9470
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione
InChI:
InChI=1S/C23H15ClO2S2/c1-14-6-10-16(11-7-14)27-22-20(25)18-4-2-3-5-19(18)21(26)23(22)28-17-12-8-15(24)9-13-17/h2-13H,1H3
InChI Key:
YYEPTBVBPWDDGQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC1=C(Sc2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.02g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.941g/mol
Monoisotopic Mass:
422.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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