methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane

C4H6O2S2 — CID 53471718

IUPACmethyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane
SMILESC#CCOS(C)(=O)=S
InChIInChI=1S/C4H6O2S2/c1-3-4-6-8(2,5)7/h1H,4H2,2H3
InChIKeyYBOQOUQQSZCWJK-UHFFFAOYSA-N
MW150.22 g/mol
LogP-0.07
Rot. Bonds2

About methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane

methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane (PubChem CID 53471718) has the molecular formula C4H6O2S2 and a molecular weight of 150.22 g/mol. Its IUPAC name is methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane
PubChem CID53471718
Molecular FormulaC4H6O2S2
Molecular Weight150.22 g/mol
Exact Mass149.98
IUPAC Namemethyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane
SMILESC#CCOS(C)(=O)=S
InChIInChI=1S/C4H6O2S2/c1-3-4-6-8(2,5)7/h1H,4H2,2H3
InChIKeyYBOQOUQQSZCWJK-UHFFFAOYSA-N
XLogP-0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane (CID 53471718) is methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane is C#CCOS(C)(=O)=S.
What is the InChIKey of methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane?
The InChIKey is YBOQOUQQSZCWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S2/c1-3-4-6-8(2,5)7/h1H,4H2,2H3.
What are the key properties of methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane?
methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane has a molecular weight of 150.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 53471718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).