1-methyl-2-methylsulfanylimidazole

C5H8N2S — CID 581856

IUPAC1-methyl-2-methylsulfanylimidazole
SMILESCSc1nccn1C
InChIInChI=1S/C5H8N2S/c1-7-4-3-6-5(7)8-2/h3-4H,1-2H3
InChIKeyLKIVEIAXFZBGMO-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.14
Rot. Bonds1

About 1-methyl-2-methylsulfanylimidazole

1-methyl-2-methylsulfanylimidazole (PubChem CID 581856) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylimidazole
PubChem CID581856
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name1-methyl-2-methylsulfanylimidazole
SMILESCSc1nccn1C
InChIInChI=1S/C5H8N2S/c1-7-4-3-6-5(7)8-2/h3-4H,1-2H3
InChIKeyLKIVEIAXFZBGMO-UHFFFAOYSA-N
XLogP1.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylimidazole?
The IUPAC name of 1-methyl-2-methylsulfanylimidazole (CID 581856) is 1-methyl-2-methylsulfanylimidazole.
What is the SMILES notation for 1-methyl-2-methylsulfanylimidazole?
The canonical SMILES for 1-methyl-2-methylsulfanylimidazole is CSc1nccn1C.
What is the InChIKey of 1-methyl-2-methylsulfanylimidazole?
The InChIKey is LKIVEIAXFZBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-7-4-3-6-5(7)8-2/h3-4H,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanylimidazole?
1-methyl-2-methylsulfanylimidazole has a molecular weight of 128.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylimidazole is sourced from PubChem (CID 581856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).