1-ethyl-3-sulfanylimidazol-2-one

C5H8N2OS — CID 163744279

IUPAC1-ethyl-3-sulfanylimidazol-2-one
SMILESCCn1ccn(S)c1=O
InChIInChI=1S/C5H8N2OS/c1-2-6-3-4-7(9)5(6)8/h3-4,9H,2H2,1H3
InChIKeyLKMGCXHBXWPAAO-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-3-sulfanylimidazol-2-one

1-ethyl-3-sulfanylimidazol-2-one (PubChem CID 163744279) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-ethyl-3-sulfanylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-sulfanylimidazol-2-one
PubChem CID163744279
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1-ethyl-3-sulfanylimidazol-2-one
SMILESCCn1ccn(S)c1=O
InChIInChI=1S/C5H8N2OS/c1-2-6-3-4-7(9)5(6)8/h3-4,9H,2H2,1H3
InChIKeyLKMGCXHBXWPAAO-UHFFFAOYSA-N
XLogP0.36
TPSA26.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-Dihydro-1-[4-(dimethylamino)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065518
1,3-Dimethyl-2-imidazolone
CID 6933312
1,3-Bis(ethenyl)imidazol-2-one
CID 45087691
1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
1-Ethyl-3-methylimidazolium carboxylate
CID 90272873
1-Ethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 116624134
1-(Difluoromethyl)-3-ethylimidazol-2-one
CID 116624241
1-Ethyl-3-(2-fluoroethyl)imidazol-2-one
CID 116624320
1-(2,2-Difluoroethyl)-3-ethylimidazol-2-one
CID 116624360
1-(2-Fluoroethyl)-3-methylimidazol-2-one
CID 116624561
1-(2,2-Difluoroethyl)-3-methylimidazol-2-one
CID 116624595
1-(3-Fluoropropyl)-3-methylimidazol-2-one
CID 116624625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-sulfanylimidazol-2-one?
The IUPAC name of 1-ethyl-3-sulfanylimidazol-2-one (CID 163744279) is 1-ethyl-3-sulfanylimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-sulfanylimidazol-2-one?
The canonical SMILES for 1-ethyl-3-sulfanylimidazol-2-one is CCn1ccn(S)c1=O.
What is the InChIKey of 1-ethyl-3-sulfanylimidazol-2-one?
The InChIKey is LKMGCXHBXWPAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-6-3-4-7(9)5(6)8/h3-4,9H,2H2,1H3.
What are the key properties of 1-ethyl-3-sulfanylimidazol-2-one?
1-ethyl-3-sulfanylimidazol-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-sulfanylimidazol-2-one is sourced from PubChem (CID 163744279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).