2-methyl-5-prop-2-enylsulfanyl-4H-imidazole

C7H10N2S — CID 157141455

IUPAC2-methyl-5-prop-2-enylsulfanyl-4H-imidazole
SMILESC=CCSC1=NC(C)=NC1
InChIInChI=1S/C7H10N2S/c1-3-4-10-7-5-8-6(2)9-7/h3H,1,4-5H2,2H3
InChIKeyAKFUKJOYTCHVIR-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole

2-methyl-5-prop-2-enylsulfanyl-4H-imidazole (PubChem CID 157141455) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole.

Molecular Properties

Compound Name2-methyl-5-prop-2-enylsulfanyl-4H-imidazole
PubChem CID157141455
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-methyl-5-prop-2-enylsulfanyl-4H-imidazole
SMILESC=CCSC1=NC(C)=NC1
InChIInChI=1S/C7H10N2S/c1-3-4-10-7-5-8-6(2)9-7/h3H,1,4-5H2,2H3
InChIKeyAKFUKJOYTCHVIR-UHFFFAOYSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.74
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 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole?
The IUPAC name of 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole (CID 157141455) is 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole.
What is the SMILES notation for 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole?
The canonical SMILES for 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole is C=CCSC1=NC(C)=NC1.
What is the InChIKey of 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole?
The InChIKey is AKFUKJOYTCHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-10-7-5-8-6(2)9-7/h3H,1,4-5H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole?
2-methyl-5-prop-2-enylsulfanyl-4H-imidazole has a molecular weight of 154.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enylsulfanyl-4H-imidazole is sourced from PubChem (CID 157141455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).