3-methyl-5-methylsulfanyl-1H-imidazol-2-one

C5H8N2OS — CID 67748756

IUPAC3-methyl-5-methylsulfanyl-1H-imidazol-2-one
SMILESCSc1cn(C)c(=O)[nH]1
InChIInChI=1S/C5H8N2OS/c1-7-3-4(9-2)6-5(7)8/h3H,1-2H3,(H,6,8)
InChIKeyBMQNFQWXTPLNOB-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.44
Rot. Bonds1

About 3-methyl-5-methylsulfanyl-1H-imidazol-2-one

3-methyl-5-methylsulfanyl-1H-imidazol-2-one (PubChem CID 67748756) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-1H-imidazol-2-one
PubChem CID67748756
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-methyl-5-methylsulfanyl-1H-imidazol-2-one
SMILESCSc1cn(C)c(=O)[nH]1
InChIInChI=1S/C5H8N2OS/c1-7-3-4(9-2)6-5(7)8/h3H,1-2H3,(H,6,8)
InChIKeyBMQNFQWXTPLNOB-UHFFFAOYSA-N
XLogP0.44
TPSA37.79 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-1H-imidazol-2-one?
The IUPAC name of 3-methyl-5-methylsulfanyl-1H-imidazol-2-one (CID 67748756) is 3-methyl-5-methylsulfanyl-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-5-methylsulfanyl-1H-imidazol-2-one is CSc1cn(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-5-methylsulfanyl-1H-imidazol-2-one?
The InChIKey is BMQNFQWXTPLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-7-3-4(9-2)6-5(7)8/h3H,1-2H3,(H,6,8).
What are the key properties of 3-methyl-5-methylsulfanyl-1H-imidazol-2-one?
3-methyl-5-methylsulfanyl-1H-imidazol-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-1H-imidazol-2-one is sourced from PubChem (CID 67748756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).