[methyl(oxo)-λ6-sulfanylidyne]methanol

C2H4O2S — CID 143718873

IUPAC[methyl(oxo)-λ6-sulfanylidyne]methanol
SMILESCS(=O)#CO
InChIInChI=1S/C2H4O2S/c1-5(4)2-3/h3H,1H3
InChIKeyQVYRZAQYOWSQMP-UHFFFAOYSA-N
MW92.12 g/mol
LogP-0.35
Rot. Bonds

About [methyl(oxo)-λ6-sulfanylidyne]methanol

[methyl(oxo)-λ6-sulfanylidyne]methanol (PubChem CID 143718873) has the molecular formula C2H4O2S and a molecular weight of 92.12 g/mol. Its IUPAC name is [methyl(oxo)-λ6-sulfanylidyne]methanol.

Molecular Properties

Compound Name[methyl(oxo)-λ6-sulfanylidyne]methanol
PubChem CID143718873
Molecular FormulaC2H4O2S
Molecular Weight92.12 g/mol
Exact Mass91.99
IUPAC Name[methyl(oxo)-λ6-sulfanylidyne]methanol
SMILESCS(=O)#CO
InChIInChI=1S/C2H4O2S/c1-5(4)2-3/h3H,1H3
InChIKeyQVYRZAQYOWSQMP-UHFFFAOYSA-N
XLogP-0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [methyl(oxo)-λ6-sulfanylidyne]methanol?
The IUPAC name of [methyl(oxo)-λ6-sulfanylidyne]methanol (CID 143718873) is [methyl(oxo)-λ6-sulfanylidyne]methanol.
What is the SMILES notation for [methyl(oxo)-λ6-sulfanylidyne]methanol?
The canonical SMILES for [methyl(oxo)-λ6-sulfanylidyne]methanol is CS(=O)#CO.
What is the InChIKey of [methyl(oxo)-λ6-sulfanylidyne]methanol?
The InChIKey is QVYRZAQYOWSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S/c1-5(4)2-3/h3H,1H3.
What are the key properties of [methyl(oxo)-λ6-sulfanylidyne]methanol?
[methyl(oxo)-λ6-sulfanylidyne]methanol has a molecular weight of 92.12 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(oxo)-λ6-sulfanylidyne]methanol is sourced from PubChem (CID 143718873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).