1-ethenoxy-2-ethylsulfanylethane;rutherfordium

C6H11ORfS- — CID 59029822

IUPAC1-ethenoxy-2-ethylsulfanylethane;rutherfordium
SMILESC=COCCSC[CH2-].[Rf]
InChIInChI=1S/C6H11OS.Rf/c1-3-7-5-6-8-4-2;/h3H,1-2,4-6H2;/q-1;
InChIKeyXBQGFRMSWIJNRF-UHFFFAOYSA-N
MW398.22 g/mol
LogP1.71
Rot. Bonds5

About 1-ethenoxy-2-ethylsulfanylethane;rutherfordium

1-ethenoxy-2-ethylsulfanylethane;rutherfordium (PubChem CID 59029822) has the molecular formula C6H11ORfS- and a molecular weight of 398.22 g/mol. Its IUPAC name is 1-ethenoxy-2-ethylsulfanylethane;rutherfordium.

Molecular Properties

Compound Name1-ethenoxy-2-ethylsulfanylethane;rutherfordium
PubChem CID59029822
Molecular FormulaC6H11ORfS-
Molecular Weight398.22 g/mol
Exact Mass398.18
IUPAC Name1-ethenoxy-2-ethylsulfanylethane;rutherfordium
SMILESC=COCCSC[CH2-].[Rf]
InChIInChI=1S/C6H11OS.Rf/c1-3-7-5-6-8-4-2;/h3H,1-2,4-6H2;/q-1;
InChIKeyXBQGFRMSWIJNRF-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-ethylsulfanylethane;rutherfordium?
The IUPAC name of 1-ethenoxy-2-ethylsulfanylethane;rutherfordium (CID 59029822) is 1-ethenoxy-2-ethylsulfanylethane;rutherfordium.
What is the SMILES notation for 1-ethenoxy-2-ethylsulfanylethane;rutherfordium?
The canonical SMILES for 1-ethenoxy-2-ethylsulfanylethane;rutherfordium is C=COCCSC[CH2-].[Rf].
What is the InChIKey of 1-ethenoxy-2-ethylsulfanylethane;rutherfordium?
The InChIKey is XBQGFRMSWIJNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OS.Rf/c1-3-7-5-6-8-4-2;/h3H,1-2,4-6H2;/q-1;.
What are the key properties of 1-ethenoxy-2-ethylsulfanylethane;rutherfordium?
1-ethenoxy-2-ethylsulfanylethane;rutherfordium has a molecular weight of 398.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-ethylsulfanylethane;rutherfordium is sourced from PubChem (CID 59029822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).