1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole

C6H12N2S — CID 12504492

IUPAC1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCN1CCN=C1SC
InChIInChI=1S/C6H12N2S/c1-3-8-5-4-7-6(8)9-2/h3-5H2,1-2H3
InChIKeyUUKHHDQBZOVMIY-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.04
Rot. Bonds1

About 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole

1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 12504492) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID12504492
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCCN1CCN=C1SC
InChIInChI=1S/C6H12N2S/c1-3-8-5-4-7-6(8)9-2/h3-5H2,1-2H3
InChIKeyUUKHHDQBZOVMIY-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 10396874
1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide
CID 12281505
5-Fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 134202148
2-Methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
CID 12504493
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazol-3-ium iodide
CID 12504486
1-Tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 12504494
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione
CID 22097466
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 45088552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 12504492) is 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole is CCN1CCN=C1SC.
What is the InChIKey of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is UUKHHDQBZOVMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-3-8-5-4-7-6(8)9-2/h3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 144.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 12504492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).