4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione

C7H12N2S — CID 59822316

IUPAC4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
SMILESCC(C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H12N2S/c1-5(2)3-6-4-8-7(10)9-6/h4-5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOMZNSDMJEHFWSP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.27
Rot. Bonds2

About 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione

4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione (PubChem CID 59822316) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
PubChem CID59822316
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
SMILESCC(C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H12N2S/c1-5(2)3-6-4-8-7(10)9-6/h4-5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOMZNSDMJEHFWSP-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione (CID 59822316) is 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione is CC(C)Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is OMZNSDMJEHFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)3-6-4-8-7(10)9-6/h4-5H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 156.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 59822316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).