1-methyl-2-methylsulfanylimidazole;hydrochloride

C5H9ClN2S — CID 122360112

IUPAC1-methyl-2-methylsulfanylimidazole;hydrochloride
SMILESCSc1nccn1C.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H,1-2H3;1H
InChIKeyPFKWQURQOAYLGG-UHFFFAOYSA-N
MW164.66 g/mol
LogP1.56
Rot. Bonds1

About 1-methyl-2-methylsulfanylimidazole;hydrochloride

1-methyl-2-methylsulfanylimidazole;hydrochloride (PubChem CID 122360112) has the molecular formula C5H9ClN2S and a molecular weight of 164.66 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylimidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylimidazole;hydrochloride
PubChem CID122360112
Molecular FormulaC5H9ClN2S
Molecular Weight164.66 g/mol
Exact Mass164.02
IUPAC Name1-methyl-2-methylsulfanylimidazole;hydrochloride
SMILESCSc1nccn1C.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H,1-2H3;1H
InChIKeyPFKWQURQOAYLGG-UHFFFAOYSA-N
XLogP1.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1,3-Dimethylimidazolium Iodide
CID 20334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylimidazole;hydrochloride?
The IUPAC name of 1-methyl-2-methylsulfanylimidazole;hydrochloride (CID 122360112) is 1-methyl-2-methylsulfanylimidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-methylsulfanylimidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-methylsulfanylimidazole;hydrochloride is CSc1nccn1C.Cl.
What is the InChIKey of 1-methyl-2-methylsulfanylimidazole;hydrochloride?
The InChIKey is PFKWQURQOAYLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H,1-2H3;1H.
What are the key properties of 1-methyl-2-methylsulfanylimidazole;hydrochloride?
1-methyl-2-methylsulfanylimidazole;hydrochloride has a molecular weight of 164.66 g/mol, XLogP of 1.56, 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;hydrochloride is sourced from PubChem (CID 122360112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).