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

C8H14N2S — CID 5200293

IUPAC4-butyl-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCCCCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C8H14N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyFEYSTHNDFVQQSD-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.72
Rot. Bonds3

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

4-butyl-5-methyl-1,3-dihydroimidazole-2-thione (PubChem CID 5200293) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-butyl-5-methyl-1,3-dihydroimidazole-2-thione
PubChem CID5200293
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-butyl-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCCCCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C8H14N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyFEYSTHNDFVQQSD-UHFFFAOYSA-N
XLogP2.72
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.72
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-butyl-5-methyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione (CID 5200293) is 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione is CCCCc1[nH]c(=S)[nH]c1C.
What is the InChIKey of 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione?
The InChIKey is FEYSTHNDFVQQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione?
4-butyl-5-methyl-1,3-dihydroimidazole-2-thione has a molecular weight of 170.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 5200293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).