4,5-dimethyl-1-methylsulfanylimidazole

C6H10N2S — CID 146393093

IUPAC4,5-dimethyl-1-methylsulfanylimidazole
SMILESCSn1cnc(C)c1C
InChIInChI=1S/C6H10N2S/c1-5-6(2)8(9-3)4-7-5/h4H,1-3H3
InChIKeyZTRINBRNWIVKBV-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.63
Rot. Bonds1

About 4,5-dimethyl-1-methylsulfanylimidazole

4,5-dimethyl-1-methylsulfanylimidazole (PubChem CID 146393093) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4,5-dimethyl-1-methylsulfanylimidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-methylsulfanylimidazole
PubChem CID146393093
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4,5-dimethyl-1-methylsulfanylimidazole
SMILESCSn1cnc(C)c1C
InChIInChI=1S/C6H10N2S/c1-5-6(2)8(9-3)4-7-5/h4H,1-3H3
InChIKeyZTRINBRNWIVKBV-UHFFFAOYSA-N
XLogP1.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-methylsulfanylimidazole?
The IUPAC name of 4,5-dimethyl-1-methylsulfanylimidazole (CID 146393093) is 4,5-dimethyl-1-methylsulfanylimidazole.
What is the SMILES notation for 4,5-dimethyl-1-methylsulfanylimidazole?
The canonical SMILES for 4,5-dimethyl-1-methylsulfanylimidazole is CSn1cnc(C)c1C.
What is the InChIKey of 4,5-dimethyl-1-methylsulfanylimidazole?
The InChIKey is ZTRINBRNWIVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-6(2)8(9-3)4-7-5/h4H,1-3H3.
What are the key properties of 4,5-dimethyl-1-methylsulfanylimidazole?
4,5-dimethyl-1-methylsulfanylimidazole has a molecular weight of 142.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-methylsulfanylimidazole is sourced from PubChem (CID 146393093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).