4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione

C9H10N2S2 — CID 15671176

IUPAC4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Cc1cccs1
InChIInChI=1S/C9H10N2S2/c1-7-5-10-9(12)11(7)6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,12)
InChIKeyQAOQMXMUHPXLOJ-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.96
Rot. Bonds2

About 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione

4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione (PubChem CID 15671176) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
PubChem CID15671176
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Cc1cccs1
InChIInChI=1S/C9H10N2S2/c1-7-5-10-9(12)11(7)6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,12)
InChIKeyQAOQMXMUHPXLOJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione (CID 15671176) is 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1Cc1cccs1.
What is the InChIKey of 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The InChIKey is QAOQMXMUHPXLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-7-5-10-9(12)11(7)6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,12).
What are the key properties of 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
4-methyl-3-(thiophen-2-ylmethyl)-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 4-methyl-3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 15671176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).