3,5-dimethyl-1H-imidazole-2-thione

C5H8N2S — CID 12544371

IUPAC3,5-dimethyl-1H-imidazole-2-thione
SMILESCc1cn(C)c(=S)[nH]1
InChIInChI=1S/C5H8N2S/c1-4-3-7(2)5(8)6-4/h3H,1-2H3,(H,6,8)
InChIKeyMANYILQBXPSNED-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.39
Rot. Bonds

About 3,5-dimethyl-1H-imidazole-2-thione

3,5-dimethyl-1H-imidazole-2-thione (PubChem CID 12544371) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 3,5-dimethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3,5-dimethyl-1H-imidazole-2-thione
PubChem CID12544371
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name3,5-dimethyl-1H-imidazole-2-thione
SMILESCc1cn(C)c(=S)[nH]1
InChIInChI=1S/C5H8N2S/c1-4-3-7(2)5(8)6-4/h3H,1-2H3,(H,6,8)
InChIKeyMANYILQBXPSNED-UHFFFAOYSA-N
XLogP1.39
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1H-imidazole-2-thione 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 3,5-dimethyl-1H-imidazole-2-thione?
The IUPAC name of 3,5-dimethyl-1H-imidazole-2-thione (CID 12544371) is 3,5-dimethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3,5-dimethyl-1H-imidazole-2-thione?
The canonical SMILES for 3,5-dimethyl-1H-imidazole-2-thione is Cc1cn(C)c(=S)[nH]1.
What is the InChIKey of 3,5-dimethyl-1H-imidazole-2-thione?
The InChIKey is MANYILQBXPSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-3-7(2)5(8)6-4/h3H,1-2H3,(H,6,8).
What are the key properties of 3,5-dimethyl-1H-imidazole-2-thione?
3,5-dimethyl-1H-imidazole-2-thione has a molecular weight of 128.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-imidazole-2-thione is sourced from PubChem (CID 12544371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).