2-ethylsulfanyl-1,4-dihydroimidazol-5-one

C5H8N2OS — CID 57054269

IUPAC2-ethylsulfanyl-1,4-dihydroimidazol-5-one
SMILESCCSC1=NCC(=O)N1
InChIInChI=1S/C5H8N2OS/c1-2-9-5-6-3-4(8)7-5/h2-3H2,1H3,(H,6,7,8)
InChIKeyOVGXANLMEBINMG-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.23
Rot. Bonds1

About 2-ethylsulfanyl-1,4-dihydroimidazol-5-one

2-ethylsulfanyl-1,4-dihydroimidazol-5-one (PubChem CID 57054269) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-ethylsulfanyl-1,4-dihydroimidazol-5-one
PubChem CID57054269
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-ethylsulfanyl-1,4-dihydroimidazol-5-one
SMILESCCSC1=NCC(=O)N1
InChIInChI=1S/C5H8N2OS/c1-2-9-5-6-3-4(8)7-5/h2-3H2,1H3,(H,6,7,8)
InChIKeyOVGXANLMEBINMG-UHFFFAOYSA-N
XLogP0.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-ethylsulfanyl-1,4-dihydroimidazol-5-one (CID 57054269) is 2-ethylsulfanyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-ethylsulfanyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-ethylsulfanyl-1,4-dihydroimidazol-5-one is CCSC1=NCC(=O)N1.
What is the InChIKey of 2-ethylsulfanyl-1,4-dihydroimidazol-5-one?
The InChIKey is OVGXANLMEBINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-9-5-6-3-4(8)7-5/h2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-ethylsulfanyl-1,4-dihydroimidazol-5-one?
2-ethylsulfanyl-1,4-dihydroimidazol-5-one has a molecular weight of 144.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 57054269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).