1H-imidazole;methanesulfonic acid

C4H8N2O3S — CID 12911075

IUPAC1H-imidazole;methanesulfonic acid
SMILESCS(=O)(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4)
InChIKeyUHJZDXBXQFVLBM-UHFFFAOYSA-N
MW164.19 g/mol
LogP-0.09
Rot. Bonds

About 1H-imidazole;methanesulfonic acid

1H-imidazole;methanesulfonic acid (PubChem CID 12911075) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is 1H-imidazole;methanesulfonic acid.

Molecular Properties

Compound Name1H-imidazole;methanesulfonic acid
PubChem CID12911075
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Name1H-imidazole;methanesulfonic acid
SMILESCS(=O)(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4)
InChIKeyUHJZDXBXQFVLBM-UHFFFAOYSA-N
XLogP-0.09
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1H-imidazole;methanesulfonic acid 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 1H-imidazole;methanesulfonic acid?
The IUPAC name of 1H-imidazole;methanesulfonic acid (CID 12911075) is 1H-imidazole;methanesulfonic acid.
What is the SMILES notation for 1H-imidazole;methanesulfonic acid?
The canonical SMILES for 1H-imidazole;methanesulfonic acid is CS(=O)(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;methanesulfonic acid?
The InChIKey is UHJZDXBXQFVLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4).
What are the key properties of 1H-imidazole;methanesulfonic acid?
1H-imidazole;methanesulfonic acid has a molecular weight of 164.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methanesulfonic acid is sourced from PubChem (CID 12911075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).