4-(furan-2-yl)-1,3-dihydroimidazole-2-thione

C7H6N2OS — CID 13290702

IUPAC4-(furan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccco2)[nH]1
InChIInChI=1S/C7H6N2OS/c11-7-8-4-5(9-7)6-2-1-3-10-6/h1-4H,(H2,8,9,11)
InChIKeyMXBJHZCSWDNNJK-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.33
Rot. Bonds1

About 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione

4-(furan-2-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 13290702) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(furan-2-yl)-1,3-dihydroimidazole-2-thione
PubChem CID13290702
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name4-(furan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccco2)[nH]1
InChIInChI=1S/C7H6N2OS/c11-7-8-4-5(9-7)6-2-1-3-10-6/h1-4H,(H2,8,9,11)
InChIKeyMXBJHZCSWDNNJK-UHFFFAOYSA-N
XLogP2.33
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione (CID 13290702) is 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(-c2ccco2)[nH]1.
What is the InChIKey of 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is MXBJHZCSWDNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c11-7-8-4-5(9-7)6-2-1-3-10-6/h1-4H,(H2,8,9,11).
What are the key properties of 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione?
4-(furan-2-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 166.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 13290702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).