but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

C4H8O3S2 — CID 54449418

IUPACbut-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCC=CCOS(=O)(O)=S
InChIInChI=1S/C4H8O3S2/c1-2-3-4-7-9(5,6)8/h2-3H,4H2,1H3,(H,5,6,8)
InChIKeyWTVWVJHIFPVSLF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.71
Rot. Bonds3

About but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 54449418) has the molecular formula C4H8O3S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namebut-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID54449418
Molecular FormulaC4H8O3S2
Molecular Weight168.24 g/mol
Exact Mass167.99
IUPAC Namebut-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCC=CCOS(=O)(O)=S
InChIInChI=1S/C4H8O3S2/c1-2-3-4-7-9(5,6)8/h2-3H,4H2,1H3,(H,5,6,8)
InChIKeyWTVWVJHIFPVSLF-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 54449418) is but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is CC=CCOS(=O)(O)=S.
What is the InChIKey of but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is WTVWVJHIFPVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S2/c1-2-3-4-7-9(5,6)8/h2-3H,4H2,1H3,(H,5,6,8).
What are the key properties of but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 168.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54449418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).