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

C9H16N2S — CID 154171115

IUPAC4-hexyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeySDFFZGORVLAGOY-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.20
Rot. Bonds5

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

4-hexyl-1,3-dihydroimidazole-2-thione (PubChem CID 154171115) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-hexyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-hexyl-1,3-dihydroimidazole-2-thione
PubChem CID154171115
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4-hexyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeySDFFZGORVLAGOY-UHFFFAOYSA-N
XLogP3.20
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-hexyl-1,3-dihydroimidazole-2-thione (CID 154171115) is 4-hexyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-hexyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-hexyl-1,3-dihydroimidazole-2-thione is CCCCCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-hexyl-1,3-dihydroimidazole-2-thione?
The InChIKey is SDFFZGORVLAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 4-hexyl-1,3-dihydroimidazole-2-thione?
4-hexyl-1,3-dihydroimidazole-2-thione has a molecular weight of 184.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 154171115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).