1,3-dimethylimidazole-2-thione;hydrobromide

C5H9BrN2S — CID 91983003

IUPAC1,3-dimethylimidazole-2-thione;hydrobromide
SMILESBr.Cn1ccn(C)c1=S
InChIInChI=1S/C5H8N2S.BrH/c1-6-3-4-7(2)5(6)8;/h3-4H,1-2H3;1H
InChIKeyHKEOZIZBCFZBDV-UHFFFAOYSA-N
MW209.11 g/mol
LogP1.67
Rot. Bonds

About 1,3-dimethylimidazole-2-thione;hydrobromide

1,3-dimethylimidazole-2-thione;hydrobromide (PubChem CID 91983003) has the molecular formula C5H9BrN2S and a molecular weight of 209.11 g/mol. Its IUPAC name is 1,3-dimethylimidazole-2-thione;hydrobromide.

Molecular Properties

Compound Name1,3-dimethylimidazole-2-thione;hydrobromide
PubChem CID91983003
Molecular FormulaC5H9BrN2S
Molecular Weight209.11 g/mol
Exact Mass207.97
IUPAC Name1,3-dimethylimidazole-2-thione;hydrobromide
SMILESBr.Cn1ccn(C)c1=S
InChIInChI=1S/C5H8N2S.BrH/c1-6-3-4-7(2)5(6)8;/h3-4H,1-2H3;1H
InChIKeyHKEOZIZBCFZBDV-UHFFFAOYSA-N
XLogP1.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.11
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethylimidazole-2-thione;hydrobromide 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 1,3-dimethylimidazole-2-thione;hydrobromide?
The IUPAC name of 1,3-dimethylimidazole-2-thione;hydrobromide (CID 91983003) is 1,3-dimethylimidazole-2-thione;hydrobromide.
What is the SMILES notation for 1,3-dimethylimidazole-2-thione;hydrobromide?
The canonical SMILES for 1,3-dimethylimidazole-2-thione;hydrobromide is Br.Cn1ccn(C)c1=S.
What is the InChIKey of 1,3-dimethylimidazole-2-thione;hydrobromide?
The InChIKey is HKEOZIZBCFZBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.BrH/c1-6-3-4-7(2)5(6)8;/h3-4H,1-2H3;1H.
What are the key properties of 1,3-dimethylimidazole-2-thione;hydrobromide?
1,3-dimethylimidazole-2-thione;hydrobromide has a molecular weight of 209.11 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazole-2-thione;hydrobromide is sourced from PubChem (CID 91983003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).