3-(2-methylsulfanylethyl)-1H-imidazol-2-one

C6H10N2OS — CID 103125673

IUPAC3-(2-methylsulfanylethyl)-1H-imidazol-2-one
SMILESCSCCn1cc[nH]c1=O
InChIInChI=1S/C6H10N2OS/c1-10-5-4-8-3-2-7-6(8)9/h2-3H,4-5H2,1H3,(H,7,9)
InChIKeyVDJNVUXCNVWWAH-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.54
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-1H-imidazol-2-one

3-(2-methylsulfanylethyl)-1H-imidazol-2-one (PubChem CID 103125673) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-1H-imidazol-2-one
PubChem CID103125673
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(2-methylsulfanylethyl)-1H-imidazol-2-one
SMILESCSCCn1cc[nH]c1=O
InChIInChI=1S/C6H10N2OS/c1-10-5-4-8-3-2-7-6(8)9/h2-3H,4-5H2,1H3,(H,7,9)
InChIKeyVDJNVUXCNVWWAH-UHFFFAOYSA-N
XLogP0.54
TPSA37.79 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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-methylsulfanylethyl)-1H-imidazol-2-one (CID 103125673) is 3-(2-methylsulfanylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-methylsulfanylethyl)-1H-imidazol-2-one is CSCCn1cc[nH]c1=O.
What is the InChIKey of 3-(2-methylsulfanylethyl)-1H-imidazol-2-one?
The InChIKey is VDJNVUXCNVWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-10-5-4-8-3-2-7-6(8)9/h2-3H,4-5H2,1H3,(H,7,9).
What are the key properties of 3-(2-methylsulfanylethyl)-1H-imidazol-2-one?
3-(2-methylsulfanylethyl)-1H-imidazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).