2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene

C26H22O2S2 — CID 59167193

IUPAC2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
SMILESCc1ccc(C)c(S(=O)c2ccc(-c3ccc(S(=O)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C26H22O2S2/c1-19-8-9-20(2)26(18-19)30(28)25-16-12-22(13-17-25)21-10-14-24(15-11-21)29(27)23-6-4-3-5-7-23/h3-18H,1-2H3
InChIKeyXHSIZBUIHLJMOD-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.30
Rot. Bonds5

About 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene

2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene (PubChem CID 59167193) has the molecular formula C26H22O2S2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
PubChem CID59167193
Molecular FormulaC26H22O2S2
Molecular Weight430.59 g/mol
Exact Mass430.11
IUPAC Name2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
SMILESCc1ccc(C)c(S(=O)c2ccc(-c3ccc(S(=O)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C26H22O2S2/c1-19-8-9-20(2)26(18-19)30(28)25-16-12-22(13-17-25)21-10-14-24(15-11-21)29(27)23-6-4-3-5-7-23/h3-18H,1-2H3
InChIKeyXHSIZBUIHLJMOD-UHFFFAOYSA-N
XLogP6.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
CID 165348232
1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene
CID 138683224
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
2-(2,5-dimethylphenyl)sulfinylthioxanthen-9-one
CID 154642403
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
4-(benzenesulfinyl)-2-methyl-1-phenylbenzene
CID 130194344
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene
CID 58252653
2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
CID 20542545
1-tert-butyl-2-(4-phenylphenyl)sulfinylbenzene
CID 156856490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene?
The IUPAC name of 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene (CID 59167193) is 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene.
What is the SMILES notation for 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene?
The canonical SMILES for 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene is Cc1ccc(C)c(S(=O)c2ccc(-c3ccc(S(=O)c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene?
The InChIKey is XHSIZBUIHLJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2S2/c1-19-8-9-20(2)26(18-19)30(28)25-16-12-22(13-17-25)21-10-14-24(15-11-21)29(27)23-6-4-3-5-7-23/h3-18H,1-2H3.
What are the key properties of 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene?
2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene has a molecular weight of 430.59 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene is sourced from PubChem (CID 59167193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).