3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione

C13H10N2S2 — CID 3538559

IUPAC3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2cccs2)cn1-c1ccccc1
InChIInChI=1S/C13H10N2S2/c16-13-14-11(12-7-4-8-17-12)9-15(13)10-5-2-1-3-6-10/h1-9H,(H,14,16)
InChIKeyJWNJLMSOHQHFTF-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.26
Rot. Bonds2

About 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione

3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione (PubChem CID 3538559) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione
PubChem CID3538559
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2cccs2)cn1-c1ccccc1
InChIInChI=1S/C13H10N2S2/c16-13-14-11(12-7-4-8-17-12)9-15(13)10-5-2-1-3-6-10/h1-9H,(H,14,16)
InChIKeyJWNJLMSOHQHFTF-UHFFFAOYSA-N
XLogP4.26
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.26
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-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione (CID 3538559) is 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione is S=c1[nH]c(-c2cccs2)cn1-c1ccccc1.
What is the InChIKey of 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione?
The InChIKey is JWNJLMSOHQHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c16-13-14-11(12-7-4-8-17-12)9-15(13)10-5-2-1-3-6-10/h1-9H,(H,14,16).
What are the key properties of 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione?
3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione has a molecular weight of 258.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 3538559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).