ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane

C3H8O2S2 — CID 59395365

IUPACethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)OC
InChIInChI=1S/C3H8O2S2/c1-3-7(4,6)5-2/h3H2,1-2H3
InChIKeyBHEMLDXLJGJLEG-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.31
Rot. Bonds2

About ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane

ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 59395365) has the molecular formula C3H8O2S2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID59395365
Molecular FormulaC3H8O2S2
Molecular Weight140.23 g/mol
Exact Mass140.00
IUPAC Nameethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)OC
InChIInChI=1S/C3H8O2S2/c1-3-7(4,6)5-2/h3H2,1-2H3
InChIKeyBHEMLDXLJGJLEG-UHFFFAOYSA-N
XLogP0.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methoxysulfonothioylmethanesulfonic acid
CID 150954828
butane;methyl methanesulfonate
CID 174496202
ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane
CID 142756583
potassium ethyl-oxido-oxo-sulfanylidene-λ6-sulfane
CID 23671444
tributyl(8-methoxysulfonothioyloctyl)azanium
CID 5199526
1-ethylsulfonylethane;methoxymethane
CID 174793539
azane;ethanol;sulfurothioic O-acid
CID 175527325
sodium;dioxido-oxo-sulfanylidene-λ6-sulfane;ethylmercury(1+)
CID 173390375
gold(1+);methyl sulfate
CID 11965801
methoxysulfonodithioylmethanesulfonic acid
CID 175915473
sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 174270371
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928

Frequently Asked Questions

What is the IUPAC name of ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane (CID 59395365) is ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane is CCS(=O)(=S)OC.
What is the InChIKey of ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is BHEMLDXLJGJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S2/c1-3-7(4,6)5-2/h3H2,1-2H3.
What are the key properties of ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane?
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 140.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 59395365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).