2-(decyldisulfanyl)-1H-imidazole

C13H24N2S2 — CID 71343711

IUPAC2-(decyldisulfanyl)-1H-imidazole
SMILESCCCCCCCCCCSSc1ncc[nH]1
InChIInChI=1S/C13H24N2S2/c1-2-3-4-5-6-7-8-9-12-16-17-13-14-10-11-15-13/h10-11H,2-9,12H2,1H3,(H,14,15)
InChIKeyDNYLGTSNAQIWKM-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.29
Rot. Bonds11

About 2-(decyldisulfanyl)-1H-imidazole

2-(decyldisulfanyl)-1H-imidazole (PubChem CID 71343711) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-(decyldisulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(decyldisulfanyl)-1H-imidazole
PubChem CID71343711
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name2-(decyldisulfanyl)-1H-imidazole
SMILESCCCCCCCCCCSSc1ncc[nH]1
InChIInChI=1S/C13H24N2S2/c1-2-3-4-5-6-7-8-9-12-16-17-13-14-10-11-15-13/h10-11H,2-9,12H2,1H3,(H,14,15)
InChIKeyDNYLGTSNAQIWKM-UHFFFAOYSA-N
XLogP5.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(decyldisulfanyl)-1H-imidazole?
The IUPAC name of 2-(decyldisulfanyl)-1H-imidazole (CID 71343711) is 2-(decyldisulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(decyldisulfanyl)-1H-imidazole?
The canonical SMILES for 2-(decyldisulfanyl)-1H-imidazole is CCCCCCCCCCSSc1ncc[nH]1.
What is the InChIKey of 2-(decyldisulfanyl)-1H-imidazole?
The InChIKey is DNYLGTSNAQIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-2-3-4-5-6-7-8-9-12-16-17-13-14-10-11-15-13/h10-11H,2-9,12H2,1H3,(H,14,15).
What are the key properties of 2-(decyldisulfanyl)-1H-imidazole?
2-(decyldisulfanyl)-1H-imidazole has a molecular weight of 272.48 g/mol, XLogP of 5.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decyldisulfanyl)-1H-imidazole is sourced from PubChem (CID 71343711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).