4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione

C7H10N2S — CID 130006811

IUPAC4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione
SMILESC=CCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C7H10N2S/c1-3-4-6-5(2)8-7(10)9-6/h3H,1,4H2,2H3,(H2,8,9,10)
InChIKeyKPJGIHMRGKESBX-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione

4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione (PubChem CID 130006811) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione
PubChem CID130006811
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione
SMILESC=CCc1[nH]c(=S)[nH]c1C
InChIInChI=1S/C7H10N2S/c1-3-4-6-5(2)8-7(10)9-6/h3H,1,4H2,2H3,(H2,8,9,10)
InChIKeyKPJGIHMRGKESBX-UHFFFAOYSA-N
XLogP2.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione (CID 130006811) is 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione is C=CCc1[nH]c(=S)[nH]c1C.
What is the InChIKey of 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione?
The InChIKey is KPJGIHMRGKESBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-6-5(2)8-7(10)9-6/h3H,1,4H2,2H3,(H2,8,9,10).
What are the key properties of 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione?
4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione has a molecular weight of 154.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-2-enyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 130006811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).