oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane

C6H10O3S2 — CID 87727404

IUPACoxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)OCC=C
InChIInChI=1S/C6H10O3S2/c1-3-5-8-11(7,10)9-6-4-2/h3-4H,1-2,5-6H2
InChIKeyRRLJNWDXOQXOLK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds6

About oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane

oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane (PubChem CID 87727404) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameoxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane
PubChem CID87727404
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC Nameoxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)OCC=C
InChIInChI=1S/C6H10O3S2/c1-3-5-8-11(7,10)9-6-4-2/h3-4H,1-2,5-6H2
InChIKeyRRLJNWDXOQXOLK-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane (CID 87727404) is oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane is C=CCOS(=O)(=S)OCC=C.
What is the InChIKey of oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is RRLJNWDXOQXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c1-3-5-8-11(7,10)9-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane?
oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 194.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(prop-2-enoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 87727404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).