2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide

C4H10ClIN2S — CID 172744713

IUPAC2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
SMILESCSC1=NCCN1.Cl.I
InChIInChI=1S/C4H8N2S.ClH.HI/c1-7-4-5-2-3-6-4;;/h2-3H2,1H3,(H,5,6);2*1H
InChIKeyJOKDRZLHKIWJLS-UHFFFAOYSA-N
MW280.56 g/mol
LogP1.35
Rot. Bonds

About 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide

2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide (PubChem CID 172744713) has the molecular formula C4H10ClIN2S and a molecular weight of 280.56 g/mol. Its IUPAC name is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide.

Molecular Properties

Compound Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
PubChem CID172744713
Molecular FormulaC4H10ClIN2S
Molecular Weight280.56 g/mol
Exact Mass279.93
IUPAC Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
SMILESCSC1=NCCN1.Cl.I
InChIInChI=1S/C4H8N2S.ClH.HI/c1-7-4-5-2-3-6-4;;/h2-3H2,1H3,(H,5,6);2*1H
InChIKeyJOKDRZLHKIWJLS-UHFFFAOYSA-N
XLogP1.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.56
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide?
The IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide (CID 172744713) is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide.
What is the SMILES notation for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide?
The canonical SMILES for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide is CSC1=NCCN1.Cl.I.
What is the InChIKey of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide?
The InChIKey is JOKDRZLHKIWJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.ClH.HI/c1-7-4-5-2-3-6-4;;/h2-3H2,1H3,(H,5,6);2*1H.
What are the key properties of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide?
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide has a molecular weight of 280.56 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide is sourced from PubChem (CID 172744713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).