1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

C11H14N2O2S2 — CID 731318

IUPAC1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S2/c1-9-3-5-10(6-4-9)17(14,15)13-8-7-12-11(13)16-2/h3-6H,7-8H2,1-2H3
InChIKeyMKZAOYBSWAVHBO-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 731318) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID731318
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S2/c1-9-3-5-10(6-4-9)17(14,15)13-8-7-12-11(13)16-2/h3-6H,7-8H2,1-2H3
InChIKeyMKZAOYBSWAVHBO-UHFFFAOYSA-N
XLogP1.72
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 731318) is 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is MKZAOYBSWAVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-9-3-5-10(6-4-9)17(14,15)13-8-7-12-11(13)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 270.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).