4-propyl-1,3-dihydroimidazole-2-thione

C6H10N2S — CID 12551762

IUPAC4-propyl-1,3-dihydroimidazole-2-thione
SMILESCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H10N2S/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyMIPOOVYZQKVTLI-UHFFFAOYSA-N
MW142.23 g/mol
LogP2.02
Rot. Bonds2

About 4-propyl-1,3-dihydroimidazole-2-thione

4-propyl-1,3-dihydroimidazole-2-thione (PubChem CID 12551762) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-propyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-propyl-1,3-dihydroimidazole-2-thione
PubChem CID12551762
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-propyl-1,3-dihydroimidazole-2-thione
SMILESCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H10N2S/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyMIPOOVYZQKVTLI-UHFFFAOYSA-N
XLogP2.02
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 52.02
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-propyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-propyl-1,3-dihydroimidazole-2-thione (CID 12551762) is 4-propyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-propyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-propyl-1,3-dihydroimidazole-2-thione is CCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-propyl-1,3-dihydroimidazole-2-thione?
The InChIKey is MIPOOVYZQKVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of 4-propyl-1,3-dihydroimidazole-2-thione?
4-propyl-1,3-dihydroimidazole-2-thione has a molecular weight of 142.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 12551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).