ethyl-methyl-oxo-sulfanylidene-λ6-sulfane

C3H8OS2 — CID 20705840

IUPACethyl-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCCS(C)(=O)=S
InChIInChI=1S/C3H8OS2/c1-3-6(2,4)5/h3H2,1-2H3
InChIKeyIOLKSRFWCDYWRJ-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.38
Rot. Bonds1

About ethyl-methyl-oxo-sulfanylidene-λ6-sulfane

ethyl-methyl-oxo-sulfanylidene-λ6-sulfane (PubChem CID 20705840) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is ethyl-methyl-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methyl-oxo-sulfanylidene-λ6-sulfane
PubChem CID20705840
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Nameethyl-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCCS(C)(=O)=S
InChIInChI=1S/C3H8OS2/c1-3-6(2,4)5/h3H2,1-2H3
InChIKeyIOLKSRFWCDYWRJ-UHFFFAOYSA-N
XLogP0.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of ethyl-methyl-oxo-sulfanylidene-λ6-sulfane (CID 20705840) is ethyl-methyl-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethyl-methyl-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethyl-methyl-oxo-sulfanylidene-λ6-sulfane is CCS(C)(=O)=S.
What is the InChIKey of ethyl-methyl-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is IOLKSRFWCDYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c1-3-6(2,4)5/h3H2,1-2H3.
What are the key properties of ethyl-methyl-oxo-sulfanylidene-λ6-sulfane?
ethyl-methyl-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 124.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 20705840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).