(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide

C5H11IN2S — CID 88772679

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide
SMILESCN1CCN=C1CS.I
InChIInChI=1S/C5H10N2S.HI/c1-7-3-2-6-5(7)4-8;/h8H,2-4H2,1H3;1H
InChIKeyOXNFSCNDEXQKFK-UHFFFAOYSA-N
MW258.13 g/mol
LogP0.88
Rot. Bonds1

About (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide

(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide (PubChem CID 88772679) has the molecular formula C5H11IN2S and a molecular weight of 258.13 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide
PubChem CID88772679
Molecular FormulaC5H11IN2S
Molecular Weight258.13 g/mol
Exact Mass257.97
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide
SMILESCN1CCN=C1CS.I
InChIInChI=1S/C5H10N2S.HI/c1-7-3-2-6-5(7)4-8;/h8H,2-4H2,1H3;1H
InChIKeyOXNFSCNDEXQKFK-UHFFFAOYSA-N
XLogP0.88
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;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 (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide (CID 88772679) is (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide is CN1CCN=C1CS.I.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide?
The InChIKey is OXNFSCNDEXQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.HI/c1-7-3-2-6-5(7)4-8;/h8H,2-4H2,1H3;1H.
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide?
(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide has a molecular weight of 258.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide is sourced from PubChem (CID 88772679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).