3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione

C9H10N2S2 — CID 14788186

IUPAC3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C9H10N2S2/c1-7-2-3-8(13-7)6-11-5-4-10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
InChIKeyGHZQNFUFNNGCTO-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.96
Rot. Bonds2

About 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione

3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 14788186) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID14788186
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C9H10N2S2/c1-7-2-3-8(13-7)6-11-5-4-10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
InChIKeyGHZQNFUFNNGCTO-UHFFFAOYSA-N
XLogP2.96
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-methylthiophen-2-yl)methyl]-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-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione (CID 14788186) is 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione is Cc1ccc(Cn2cc[nH]c2=S)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is GHZQNFUFNNGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-7-2-3-8(13-7)6-11-5-4-10-9(11)12/h2-5H,6H2,1H3,(H,10,12).
What are the key properties of 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 210.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 14788186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).