methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane

C4H8O3S2 — CID 88661541

IUPACmethoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)OC
InChIInChI=1S/C4H8O3S2/c1-3-4-7-9(5,8)6-2/h3H,1,4H2,2H3
InChIKeyRNBVLZGVNGCSIX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.41
Rot. Bonds4

About methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane

methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane (PubChem CID 88661541) has the molecular formula C4H8O3S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane
PubChem CID88661541
Molecular FormulaC4H8O3S2
Molecular Weight168.24 g/mol
Exact Mass167.99
IUPAC Namemethoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane
SMILESC=CCOS(=O)(=S)OC
InChIInChI=1S/C4H8O3S2/c1-3-4-7-9(5,8)6-2/h3H,1,4H2,2H3
InChIKeyRNBVLZGVNGCSIX-UHFFFAOYSA-N
XLogP0.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.41
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 methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane (CID 88661541) is methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane is C=CCOS(=O)(=S)OC.
What is the InChIKey of methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane?
The InChIKey is RNBVLZGVNGCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S2/c1-3-4-7-9(5,8)6-2/h3H,1,4H2,2H3.
What are the key properties of methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane?
methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane has a molecular weight of 168.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-prop-2-enoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 88661541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).