1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

C6H12N2O2S2 — CID 3526602

IUPAC1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SC
InChIInChI=1S/C6H12N2O2S2/c1-3-12(9,10)8-5-4-7-6(8)11-2/h3-5H2,1-2H3
InChIKeyOBWGQIQDBVHWMF-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.37
Rot. Bonds2

About 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole

1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 3526602) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID3526602
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1CCN=C1SC
InChIInChI=1S/C6H12N2O2S2/c1-3-12(9,10)8-5-4-7-6(8)11-2/h3-5H2,1-2H3
InChIKeyOBWGQIQDBVHWMF-UHFFFAOYSA-N
XLogP0.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 3526602) is 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is CCS(=O)(=O)N1CCN=C1SC.
What is the InChIKey of 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is OBWGQIQDBVHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-3-12(9,10)8-5-4-7-6(8)11-2/h3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 208.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 3526602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).