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

C6H13IN2S — CID 75527806

IUPAC1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide
SMILESCCN1CCN=C1SC.I
InChIInChI=1S/C6H12N2S.HI/c1-3-8-5-4-7-6(8)9-2;/h3-5H2,1-2H3;1H
InChIKeyXYVHFWFANDCINZ-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.66
Rot. Bonds1

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

1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide (PubChem CID 75527806) has the molecular formula C6H13IN2S and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide
PubChem CID75527806
Molecular FormulaC6H13IN2S
Molecular Weight272.15 g/mol
Exact Mass271.98
IUPAC Name1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide
SMILESCCN1CCN=C1SC.I
InChIInChI=1S/C6H12N2S.HI/c1-3-8-5-4-7-6(8)9-2;/h3-5H2,1-2H3;1H
InChIKeyXYVHFWFANDCINZ-UHFFFAOYSA-N
XLogP1.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
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
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
methyl N'-cyano-N,N-diethylcarbamimidothioate
CID 80489751
[Diethylamino(methylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470963
[Diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide
CID 87472061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide?
The IUPAC name of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide (CID 75527806) is 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide.
What is the SMILES notation for 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide?
The canonical SMILES for 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide is CCN1CCN=C1SC.I.
What is the InChIKey of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide?
The InChIKey is XYVHFWFANDCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S.HI/c1-3-8-5-4-7-6(8)9-2;/h3-5H2,1-2H3;1H.
What are the key properties of 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide?
1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide has a molecular weight of 272.15 g/mol, XLogP of 1.66, 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;hydroiodide is sourced from PubChem (CID 75527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).