4-thiophen-2-yl-1,3-dihydroimidazole-2-thione

C7H6N2S2 — CID 3022082

IUPAC4-thiophen-2-yl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2cccs2)[nH]1
InChIInChI=1S/C7H6N2S2/c10-7-8-4-5(9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10)
InChIKeyMCHJAOYKRCMJQI-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.80
Rot. Bonds1

About 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione

4-thiophen-2-yl-1,3-dihydroimidazole-2-thione (PubChem CID 3022082) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-thiophen-2-yl-1,3-dihydroimidazole-2-thione
PubChem CID3022082
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name4-thiophen-2-yl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2cccs2)[nH]1
InChIInChI=1S/C7H6N2S2/c10-7-8-4-5(9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10)
InChIKeyMCHJAOYKRCMJQI-UHFFFAOYSA-N
XLogP2.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Thienyl)pyrimidine-2-thiol
CID 2737283
N-(2-Thienylmethyl)hydrazinecarbothioamide
CID 676437
N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
1-(2-Thiophen-2-yl-ethyl)-1,3-dihydro-imidazole-2-thione
CID 10176689
1-(thiophen-2-ylmethyl)-1H-imidazole-2-thiol
CID 10198071
1-(3-Thiophen-2-yl-propyl)-1,3-dihydro-imidazole-2-thione
CID 14403247
1-(5-Chloro-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788187
1-[2-(5-Methyl-thiophen-2-yl)-ethyl]-1,3-dihydro-imidazole-2-thione
CID 14788197
1-(5-Methyl-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788186
4-(5-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142950
4-(4-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142954
1-(5-Fluoro-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788188

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione (CID 3022082) is 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(-c2cccs2)[nH]1.
What is the InChIKey of 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione?
The InChIKey is MCHJAOYKRCMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c10-7-8-4-5(9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10).
What are the key properties of 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione?
4-thiophen-2-yl-1,3-dihydroimidazole-2-thione has a molecular weight of 182.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 3022082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).