4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione

C9H12N2OS — CID 25143090

IUPAC4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione
SMILESCC1C=CC(C)(c2c[nH]c(=S)[nH]2)O1
InChIInChI=1S/C9H12N2OS/c1-6-3-4-9(2,12-6)7-5-10-8(13)11-7/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyOHCZOFAQVPPZHJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.26
Rot. Bonds1

About 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione

4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 25143090) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione
PubChem CID25143090
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione
SMILESCC1C=CC(C)(c2c[nH]c(=S)[nH]2)O1
InChIInChI=1S/C9H12N2OS/c1-6-3-4-9(2,12-6)7-5-10-8(13)11-7/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyOHCZOFAQVPPZHJ-UHFFFAOYSA-N
XLogP2.26
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione (CID 25143090) is 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione is CC1C=CC(C)(c2c[nH]c(=S)[nH]2)O1.
What is the InChIKey of 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is OHCZOFAQVPPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-3-4-9(2,12-6)7-5-10-8(13)11-7/h3-6H,1-2H3,(H2,10,11,13).
What are the key properties of 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione?
4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 196.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25143090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).