3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione

C10H12N2S2 — CID 21272631

IUPAC3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
SMILESCCC(c1cccs1)n1cc[nH]c1=S
InChIInChI=1S/C10H12N2S2/c1-2-8(9-4-3-7-14-9)12-6-5-11-10(12)13/h3-8H,2H2,1H3,(H,11,13)
InChIKeyMHUHVDRLECYCBS-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.61
Rot. Bonds3

About 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione

3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione (PubChem CID 21272631) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
PubChem CID21272631
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
SMILESCCC(c1cccs1)n1cc[nH]c1=S
InChIInChI=1S/C10H12N2S2/c1-2-8(9-4-3-7-14-9)12-6-5-11-10(12)13/h3-8H,2H2,1H3,(H,11,13)
InChIKeyMHUHVDRLECYCBS-UHFFFAOYSA-N
XLogP3.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.61
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 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione (CID 21272631) is 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione is CCC(c1cccs1)n1cc[nH]c1=S.
What is the InChIKey of 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The InChIKey is MHUHVDRLECYCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-8(9-4-3-7-14-9)12-6-5-11-10(12)13/h3-8H,2H2,1H3,(H,11,13).
What are the key properties of 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione has a molecular weight of 224.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 21272631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).