1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one

C7H12N2OS — CID 22097507

IUPAC1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one
SMILESCCSC1=NCC(=O)N1CC
InChIInChI=1S/C7H12N2OS/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3
InChIKeyATLYFUOZMXACPF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.96
Rot. Bonds2

About 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one

1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one (PubChem CID 22097507) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one
PubChem CID22097507
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one
SMILESCCSC1=NCC(=O)N1CC
InChIInChI=1S/C7H12N2OS/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3
InChIKeyATLYFUOZMXACPF-UHFFFAOYSA-N
XLogP0.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Ethylenepseudothiohydantoin
CID 224367
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4393831
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 4644485
3-Ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 19712411
2,3-Dihydro-6h-imidazo[2,1-b]thiazol-5-one
CID 59635340
2-(4-Ethylpiperazin-1-yl)-1,3-thiazol-4-one
CID 56833779
2-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6h)-one
CID 134822058
1H-Imidazole, 1-acetyl-2-(ethylthio)-4,5-dihydro-
CID 4139636
2-(Diethylamino)-1,3-thiazol-4(5H)-one
CID 14761910
3-Methyl-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 15552374
3-ethyl-2-methylsulfanyl-4H-imidazol-5-one
CID 20248949
3-methyl-2-methylsulfanyl-4H-imidazol-5-one
CID 20248951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one (CID 22097507) is 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one is CCSC1=NCC(=O)N1CC.
What is the InChIKey of 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one?
The InChIKey is ATLYFUOZMXACPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one?
1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one has a molecular weight of 172.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 22097507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).