4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione

C8H8N2OS — CID 25142951

IUPAC4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione
SMILESCc1ccc(-c2c[nH]c(=S)[nH]2)o1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-7(11-5)6-4-9-8(12)10-6/h2-4H,1H3,(H2,9,10,12)
InChIKeyYACLEJALJCLPTP-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.64
Rot. Bonds1

About 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione

4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 25142951) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione
PubChem CID25142951
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione
SMILESCc1ccc(-c2c[nH]c(=S)[nH]2)o1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-7(11-5)6-4-9-8(12)10-6/h2-4H,1H3,(H2,9,10,12)
InChIKeyYACLEJALJCLPTP-UHFFFAOYSA-N
XLogP2.64
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.64
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-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione (CID 25142951) is 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione is Cc1ccc(-c2c[nH]c(=S)[nH]2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is YACLEJALJCLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-2-3-7(11-5)6-4-9-8(12)10-6/h2-4H,1H3,(H2,9,10,12).
What are the key properties of 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione?
4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 180.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25142951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).