2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide

C6H11IN2S — CID 70394470

IUPAC2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
SMILESC=CCSC1=NCCN1.I
InChIInChI=1S/C6H10N2S.HI/c1-2-5-9-6-7-3-4-8-6;/h2H,1,3-5H2,(H,7,8);1H
InChIKeyLRMOFYXTRCZGMF-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.48
Rot. Bonds2

About 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide

2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide (PubChem CID 70394470) has the molecular formula C6H11IN2S and a molecular weight of 270.14 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
PubChem CID70394470
Molecular FormulaC6H11IN2S
Molecular Weight270.14 g/mol
Exact Mass269.97
IUPAC Name2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
SMILESC=CCSC1=NCCN1.I
InChIInChI=1S/C6H10N2S.HI/c1-2-5-9-6-7-3-4-8-6;/h2H,1,3-5H2,(H,7,8);1H
InChIKeyLRMOFYXTRCZGMF-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide?
The IUPAC name of 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide (CID 70394470) is 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide.
What is the SMILES notation for 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide?
The canonical SMILES for 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide is C=CCSC1=NCCN1.I.
What is the InChIKey of 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide?
The InChIKey is LRMOFYXTRCZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.HI/c1-2-5-9-6-7-3-4-8-6;/h2H,1,3-5H2,(H,7,8);1H.
What are the key properties of 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide?
2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide has a molecular weight of 270.14 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide is sourced from PubChem (CID 70394470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).