4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione

C6H10N2S — CID 15079009

IUPAC4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C6H10N2S/c1-3-5-4(2)7-6(9)8-5/h3H2,1-2H3,(H2,7,8,9)
InChIKeyVPIVLKVQUPWGCS-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.94
Rot. Bonds1

About 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione

4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione (PubChem CID 15079009) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione
PubChem CID15079009
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C6H10N2S/c1-3-5-4(2)7-6(9)8-5/h3H2,1-2H3,(H2,7,8,9)
InChIKeyVPIVLKVQUPWGCS-UHFFFAOYSA-N
XLogP1.94
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione (CID 15079009) is 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione is CCc1[nH]c(=S)[nH]c1C.
What is the InChIKey of 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione?
The InChIKey is VPIVLKVQUPWGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5-4(2)7-6(9)8-5/h3H2,1-2H3,(H2,7,8,9).
What are the key properties of 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione?
4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione has a molecular weight of 142.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 15079009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).