1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene

C17H20O2S2 — CID 1483197

IUPAC1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene
SMILESCc1ccc(S(=O)CCCS(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O2S2/c1-14-4-8-16(9-5-14)20(18)12-3-13-21(19)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyWMAYQNLTRBBCGT-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.61
Rot. Bonds6

About 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene

1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene (PubChem CID 1483197) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene
PubChem CID1483197
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene
SMILESCc1ccc(S(=O)CCCS(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O2S2/c1-14-4-8-16(9-5-14)20(18)12-3-13-21(19)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyWMAYQNLTRBBCGT-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene?
The IUPAC name of 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene (CID 1483197) is 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene?
The canonical SMILES for 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene is Cc1ccc(S(=O)CCCS(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene?
The InChIKey is WMAYQNLTRBBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-14-4-8-16(9-5-14)20(18)12-3-13-21(19)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene?
1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene has a molecular weight of 320.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylphenyl)sulfinylpropylsulfinyl]benzene is sourced from PubChem (CID 1483197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).