2-methylsulfanyl-1H-imidazole;hydroiodide

C4H7IN2S — CID 12503266

IUPAC2-methylsulfanyl-1H-imidazole;hydroiodide
SMILESCSc1ncc[nH]1.I
InChIInChI=1S/C4H6N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyLFAZQZXJVXAGSL-UHFFFAOYSA-N
MW242.09 g/mol
LogP1.75
Rot. Bonds1

About 2-methylsulfanyl-1H-imidazole;hydroiodide

2-methylsulfanyl-1H-imidazole;hydroiodide (PubChem CID 12503266) has the molecular formula C4H7IN2S and a molecular weight of 242.09 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-imidazole;hydroiodide.

Molecular Properties

Compound Name2-methylsulfanyl-1H-imidazole;hydroiodide
PubChem CID12503266
Molecular FormulaC4H7IN2S
Molecular Weight242.09 g/mol
Exact Mass241.94
IUPAC Name2-methylsulfanyl-1H-imidazole;hydroiodide
SMILESCSc1ncc[nH]1.I
InChIInChI=1S/C4H6N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyLFAZQZXJVXAGSL-UHFFFAOYSA-N
XLogP1.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
Px-12
CID 219104
2-Aminoimidazole
CID 82140
Imidazolium chloride
CID 10197644
2-Mercapto-1-methylimidazole
CID 21989623
2-(methylsulfanyl)-1H-imidazole
CID 134652
2-(Methylsulfonyl)imidazole
CID 99390
2-iodo-1H-imidazole
CID 2773468
Imidazole-d4
CID 11701027
Imidazolium cation
CID 444234
2-aminomethyl-1H-imidazole
CID 1382041

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-imidazole;hydroiodide?
The IUPAC name of 2-methylsulfanyl-1H-imidazole;hydroiodide (CID 12503266) is 2-methylsulfanyl-1H-imidazole;hydroiodide.
What is the SMILES notation for 2-methylsulfanyl-1H-imidazole;hydroiodide?
The canonical SMILES for 2-methylsulfanyl-1H-imidazole;hydroiodide is CSc1ncc[nH]1.I.
What is the InChIKey of 2-methylsulfanyl-1H-imidazole;hydroiodide?
The InChIKey is LFAZQZXJVXAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H.
What are the key properties of 2-methylsulfanyl-1H-imidazole;hydroiodide?
2-methylsulfanyl-1H-imidazole;hydroiodide has a molecular weight of 242.09 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-imidazole;hydroiodide is sourced from PubChem (CID 12503266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).