2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one

C6H10N2OS — CID 106951753

IUPAC2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCSCC1=NCC(=O)N1
InChIInChI=1S/C6H10N2OS/c1-2-10-4-5-7-3-6(9)8-5/h2-4H2,1H3,(H,7,8,9)
InChIKeyGPJNSJXVLKLWOU-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.27
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one

2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951753) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106951753
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCSCC1=NCC(=O)N1
InChIInChI=1S/C6H10N2OS/c1-2-10-4-5-7-3-6(9)8-5/h2-4H2,1H3,(H,7,8,9)
InChIKeyGPJNSJXVLKLWOU-UHFFFAOYSA-N
XLogP0.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one (CID 106951753) is 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one is CCSCC1=NCC(=O)N1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is GPJNSJXVLKLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-10-4-5-7-3-6(9)8-5/h2-4H2,1H3,(H,7,8,9).
What are the key properties of 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 158.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).