1-ethylsulfanylimidazole;selane

C5H10N2SSe — CID 174961242

IUPAC1-ethylsulfanylimidazole;selane
SMILESCCSn1ccnc1.[SeH2]
InChIInChI=1S/C5H8N2S.H2Se/c1-2-8-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2
InChIKeyQKLWZQMWGFULFQ-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.48
Rot. Bonds2

About 1-ethylsulfanylimidazole;selane

1-ethylsulfanylimidazole;selane (PubChem CID 174961242) has the molecular formula C5H10N2SSe and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-ethylsulfanylimidazole;selane.

Molecular Properties

Compound Name1-ethylsulfanylimidazole;selane
PubChem CID174961242
Molecular FormulaC5H10N2SSe
Molecular Weight209.18 g/mol
Exact Mass209.97
IUPAC Name1-ethylsulfanylimidazole;selane
SMILESCCSn1ccnc1.[SeH2]
InChIInChI=1S/C5H8N2S.H2Se/c1-2-8-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2
InChIKeyQKLWZQMWGFULFQ-UHFFFAOYSA-N
XLogP0.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylimidazole;selane?
The IUPAC name of 1-ethylsulfanylimidazole;selane (CID 174961242) is 1-ethylsulfanylimidazole;selane.
What is the SMILES notation for 1-ethylsulfanylimidazole;selane?
The canonical SMILES for 1-ethylsulfanylimidazole;selane is CCSn1ccnc1.[SeH2].
What is the InChIKey of 1-ethylsulfanylimidazole;selane?
The InChIKey is QKLWZQMWGFULFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.H2Se/c1-2-8-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2.
What are the key properties of 1-ethylsulfanylimidazole;selane?
1-ethylsulfanylimidazole;selane has a molecular weight of 209.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylimidazole;selane is sourced from PubChem (CID 174961242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).