1,3-diethyl-4,5-dimethylimidazole-2-thione

C9H16N2S — CID 11116724

IUPAC1,3-diethyl-4,5-dimethylimidazole-2-thione
SMILESCCn1c(C)c(C)n(CC)c1=S
InChIInChI=1S/C9H16N2S/c1-5-10-7(3)8(4)11(6-2)9(10)12/h5-6H2,1-4H3
InChIKeyJHHSUMSRHXBZSK-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.68
Rot. Bonds2

About 1,3-diethyl-4,5-dimethylimidazole-2-thione

1,3-diethyl-4,5-dimethylimidazole-2-thione (PubChem CID 11116724) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1,3-diethyl-4,5-dimethylimidazole-2-thione.

Molecular Properties

Compound Name1,3-diethyl-4,5-dimethylimidazole-2-thione
PubChem CID11116724
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1,3-diethyl-4,5-dimethylimidazole-2-thione
SMILESCCn1c(C)c(C)n(CC)c1=S
InChIInChI=1S/C9H16N2S/c1-5-10-7(3)8(4)11(6-2)9(10)12/h5-6H2,1-4H3
InChIKeyJHHSUMSRHXBZSK-UHFFFAOYSA-N
XLogP2.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
CID 11052977
CID 12077249
CID 12077249
1,3-Diisopropyl-4,5-dimethyl-imidazol-2-ylidene
CID 12081911
1,3,4,5-Tetramethyl-1,3-dihydro-2H-imidazole-2-thione
CID 12503287
1,3-diethyl-4,5-dimethyl-2H-imidazole
CID 15740745
2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole
CID 126695152
Dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-lambda4-sulfane
CID 139124264
1,3-Bis(2,2-dimethylpropyl)-4,5-dimethylimidazole-2-thione
CID 13946883
4,5-Dimethyl-1,3-bis(2-methylpropyl)imidazole-2-thione
CID 13946884
1-ethyl-3,4,5-trimethyl-2H-imidazole
CID 21977199
1,2,3,4,5-pentamethyl-2H-imidazole
CID 21977208
1-ethyl-2,3,4,5-tetramethyl-2H-imidazole
CID 23077190

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,5-dimethylimidazole-2-thione?
The IUPAC name of 1,3-diethyl-4,5-dimethylimidazole-2-thione (CID 11116724) is 1,3-diethyl-4,5-dimethylimidazole-2-thione.
What is the SMILES notation for 1,3-diethyl-4,5-dimethylimidazole-2-thione?
The canonical SMILES for 1,3-diethyl-4,5-dimethylimidazole-2-thione is CCn1c(C)c(C)n(CC)c1=S.
What is the InChIKey of 1,3-diethyl-4,5-dimethylimidazole-2-thione?
The InChIKey is JHHSUMSRHXBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-10-7(3)8(4)11(6-2)9(10)12/h5-6H2,1-4H3.
What are the key properties of 1,3-diethyl-4,5-dimethylimidazole-2-thione?
1,3-diethyl-4,5-dimethylimidazole-2-thione has a molecular weight of 184.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,5-dimethylimidazole-2-thione is sourced from PubChem (CID 11116724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).