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

C6H12N2O2S2 — CID 2148548

IUPAC2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(C)(=O)=O
InChIInChI=1S/C6H12N2O2S2/c1-3-11-6-7-4-5-8(6)12(2,9)10/h3-5H2,1-2H3
InChIKeySPCIUCRAONUENS-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.37
Rot. Bonds2

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

2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148548) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
PubChem CID2148548
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(C)(=O)=O
InChIInChI=1S/C6H12N2O2S2/c1-3-11-6-7-4-5-8(6)12(2,9)10/h3-5H2,1-2H3
InChIKeySPCIUCRAONUENS-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 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (CID 2148548) is 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is CCSC1=NCCN1S(C)(=O)=O.
What is the InChIKey of 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The InChIKey is SPCIUCRAONUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-3-11-6-7-4-5-8(6)12(2,9)10/h3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
2-ethylsulfanyl-1-methylsulfonyl-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 2-ethylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).