1,2-dimethyl-4-methylsulfanylimidazole

C6H10N2S — CID 10820636

IUPAC1,2-dimethyl-4-methylsulfanylimidazole
SMILESCSc1cn(C)c(C)n1
InChIInChI=1S/C6H10N2S/c1-5-7-6(9-3)4-8(5)2/h4H,1-3H3
InChIKeyBLMOBQLNGIYNBG-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.45
Rot. Bonds1

About 1,2-dimethyl-4-methylsulfanylimidazole

1,2-dimethyl-4-methylsulfanylimidazole (PubChem CID 10820636) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylsulfanylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-methylsulfanylimidazole
PubChem CID10820636
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1,2-dimethyl-4-methylsulfanylimidazole
SMILESCSc1cn(C)c(C)n1
InChIInChI=1S/C6H10N2S/c1-5-7-6(9-3)4-8(5)2/h4H,1-3H3
InChIKeyBLMOBQLNGIYNBG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methimazole methyl sulfide
CID 581856
5H-Pyrrolo(1,2-a)imidazolium, 6,7-dihydro-1-methyl-2-(methylthio)-, iodide
CID 659020
Methyl 2-methylimidazole-1-carbodithioate;hydrochloride
CID 122182170
Methyl 2-methylimidazole-1-carbodithioate
CID 76317032
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylthio)-
CID 3080453
2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 4962504
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489
1-Ethyl-2-(methylthio)-1H-imidazole
CID 12503267
1-methyl-2-(methylsulfanyl)-1H-imidazole hydrochloride
CID 122360112
1-Methyl-2-(2-propen-1-ylthio)-1H-imidazole
CID 10964730
1-Methyl-1H-imidazole-5-thiol
CID 25164830
1-Methylimidazole-4-thiol
CID 25164831

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylsulfanylimidazole?
The IUPAC name of 1,2-dimethyl-4-methylsulfanylimidazole (CID 10820636) is 1,2-dimethyl-4-methylsulfanylimidazole.
What is the SMILES notation for 1,2-dimethyl-4-methylsulfanylimidazole?
The canonical SMILES for 1,2-dimethyl-4-methylsulfanylimidazole is CSc1cn(C)c(C)n1.
What is the InChIKey of 1,2-dimethyl-4-methylsulfanylimidazole?
The InChIKey is BLMOBQLNGIYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-7-6(9-3)4-8(5)2/h4H,1-3H3.
What are the key properties of 1,2-dimethyl-4-methylsulfanylimidazole?
1,2-dimethyl-4-methylsulfanylimidazole has a molecular weight of 142.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylsulfanylimidazole is sourced from PubChem (CID 10820636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).