1-methyl-2-prop-2-enylsulfanylimidazole

C7H10N2S — CID 10964730

IUPAC1-methyl-2-prop-2-enylsulfanylimidazole
SMILESC=CCSc1nccn1C
InChIInChI=1S/C7H10N2S/c1-3-6-10-7-8-4-5-9(7)2/h3-5H,1,6H2,2H3
InChIKeyIWOATMYSULKRRI-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-2-prop-2-enylsulfanylimidazole

1-methyl-2-prop-2-enylsulfanylimidazole (PubChem CID 10964730) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylsulfanylimidazole.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylsulfanylimidazole
PubChem CID10964730
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-methyl-2-prop-2-enylsulfanylimidazole
SMILESC=CCSc1nccn1C
InChIInChI=1S/C7H10N2S/c1-3-6-10-7-8-4-5-9(7)2/h3-5H,1,6H2,2H3
InChIKeyIWOATMYSULKRRI-UHFFFAOYSA-N
XLogP1.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enylsulfanylimidazole?
The IUPAC name of 1-methyl-2-prop-2-enylsulfanylimidazole (CID 10964730) is 1-methyl-2-prop-2-enylsulfanylimidazole.
What is the SMILES notation for 1-methyl-2-prop-2-enylsulfanylimidazole?
The canonical SMILES for 1-methyl-2-prop-2-enylsulfanylimidazole is C=CCSc1nccn1C.
What is the InChIKey of 1-methyl-2-prop-2-enylsulfanylimidazole?
The InChIKey is IWOATMYSULKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-6-10-7-8-4-5-9(7)2/h3-5H,1,6H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enylsulfanylimidazole?
1-methyl-2-prop-2-enylsulfanylimidazole has a molecular weight of 154.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylsulfanylimidazole is sourced from PubChem (CID 10964730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).