2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole

C11H14N2O2S2 — CID 2148558

IUPAC2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCS(=O)(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C11H14N2O2S2/c1-17(14,15)13-8-7-12-11(13)16-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyWFOYMSDJTZLOAI-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.55
Rot. Bonds3

About 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole

2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148558) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
PubChem CID2148558
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCS(=O)(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C11H14N2O2S2/c1-17(14,15)13-8-7-12-11(13)16-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyWFOYMSDJTZLOAI-UHFFFAOYSA-N
XLogP1.55
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (CID 2148558) is 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is CS(=O)(=O)N1CCN=C1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The InChIKey is WFOYMSDJTZLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-17(14,15)13-8-7-12-11(13)16-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole has a molecular weight of 270.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).