3-thiophen-2-yl-1H-imidazole-2-thione

C7H6N2S2 — CID 19778271

IUPAC3-thiophen-2-yl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1-c1cccs1
InChIInChI=1S/C7H6N2S2/c10-7-8-3-4-9(7)6-2-1-5-11-6/h1-5H,(H,8,10)
InChIKeyALBBYIZMHHXERB-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.60
Rot. Bonds1

About 3-thiophen-2-yl-1H-imidazole-2-thione

3-thiophen-2-yl-1H-imidazole-2-thione (PubChem CID 19778271) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-thiophen-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-thiophen-2-yl-1H-imidazole-2-thione
PubChem CID19778271
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name3-thiophen-2-yl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1-c1cccs1
InChIInChI=1S/C7H6N2S2/c10-7-8-3-4-9(7)6-2-1-5-11-6/h1-5H,(H,8,10)
InChIKeyALBBYIZMHHXERB-UHFFFAOYSA-N
XLogP2.60
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.60
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-thiophen-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-thiophen-2-yl-1H-imidazole-2-thione (CID 19778271) is 3-thiophen-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-thiophen-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-thiophen-2-yl-1H-imidazole-2-thione is S=c1[nH]ccn1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1H-imidazole-2-thione?
The InChIKey is ALBBYIZMHHXERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c10-7-8-3-4-9(7)6-2-1-5-11-6/h1-5H,(H,8,10).
What are the key properties of 3-thiophen-2-yl-1H-imidazole-2-thione?
3-thiophen-2-yl-1H-imidazole-2-thione has a molecular weight of 182.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 19778271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).