3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione

C10H12N2OS — CID 22368332

IUPAC3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione
SMILESCCC(c1ccco1)n1cc[nH]c1=S
InChIInChI=1S/C10H12N2OS/c1-2-8(9-4-3-7-13-9)12-6-5-11-10(12)14/h3-8H,2H2,1H3,(H,11,14)
InChIKeyGDJFTMPJNAGESX-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.14
Rot. Bonds3

About 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione

3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione (PubChem CID 22368332) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione
PubChem CID22368332
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione
SMILESCCC(c1ccco1)n1cc[nH]c1=S
InChIInChI=1S/C10H12N2OS/c1-2-8(9-4-3-7-13-9)12-6-5-11-10(12)14/h3-8H,2H2,1H3,(H,11,14)
InChIKeyGDJFTMPJNAGESX-UHFFFAOYSA-N
XLogP3.14
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.14
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-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione (CID 22368332) is 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione is CCC(c1ccco1)n1cc[nH]c1=S.
What is the InChIKey of 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione?
The InChIKey is GDJFTMPJNAGESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-8(9-4-3-7-13-9)12-6-5-11-10(12)14/h3-8H,2H2,1H3,(H,11,14).
What are the key properties of 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione?
3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione has a molecular weight of 208.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propyl]-1H-imidazole-2-thione is sourced from PubChem (CID 22368332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).