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

C8H14N2S — CID 24839030

IUPAC4-pentyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQEGNZISTPQZCHR-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.80
Rot. Bonds4

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

4-pentyl-1,3-dihydroimidazole-2-thione (PubChem CID 24839030) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-pentyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-pentyl-1,3-dihydroimidazole-2-thione
PubChem CID24839030
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-pentyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQEGNZISTPQZCHR-UHFFFAOYSA-N
XLogP2.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.80
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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Related Compounds

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2-hexacosyl-1H-pyrrole
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5-octadecyl-1H-pyrrole-2-carbaldehyde
CID 10360349
6-heptyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 126478272
5-hexyl-1H-imidazole
CID 14225142
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
3,4-dihexyl-1H-pyrrole
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2,3-dimethyl-5-tetradecyl-1H-imidazol-3-ium chloride
CID 141475875

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-pentyl-1,3-dihydroimidazole-2-thione (CID 24839030) is 4-pentyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-pentyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-pentyl-1,3-dihydroimidazole-2-thione is CCCCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-pentyl-1,3-dihydroimidazole-2-thione?
The InChIKey is QEGNZISTPQZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 4-pentyl-1,3-dihydroimidazole-2-thione?
4-pentyl-1,3-dihydroimidazole-2-thione has a molecular weight of 170.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 24839030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).