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

C7H12N2S — CID 10057755

IUPAC4,5-diethyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1CC
InChIInChI=1S/C7H12N2S/c1-3-5-6(4-2)9-7(10)8-5/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyCQPLQHZNUBFUMH-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.20
Rot. Bonds2

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

4,5-diethyl-1,3-dihydroimidazole-2-thione (PubChem CID 10057755) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4,5-diethyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-diethyl-1,3-dihydroimidazole-2-thione
PubChem CID10057755
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4,5-diethyl-1,3-dihydroimidazole-2-thione
SMILESCCc1[nH]c(=S)[nH]c1CC
InChIInChI=1S/C7H12N2S/c1-3-5-6(4-2)9-7(10)8-5/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyCQPLQHZNUBFUMH-UHFFFAOYSA-N
XLogP2.20
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.20
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 4,5-diethyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-diethyl-1,3-dihydroimidazole-2-thione (CID 10057755) is 4,5-diethyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-diethyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-diethyl-1,3-dihydroimidazole-2-thione is CCc1[nH]c(=S)[nH]c1CC.
What is the InChIKey of 4,5-diethyl-1,3-dihydroimidazole-2-thione?
The InChIKey is CQPLQHZNUBFUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-5-6(4-2)9-7(10)8-5/h3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 4,5-diethyl-1,3-dihydroimidazole-2-thione?
4,5-diethyl-1,3-dihydroimidazole-2-thione has a molecular weight of 156.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 10057755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).