ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane

C3H5Cl3O2S2 — CID 142756583

IUPACethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane
SMILESCCS(=O)(=S)OC(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3O2S2/c1-2-10(7,9)8-3(4,5)6/h2H2,1H3
InChIKeyLFGZQKUJFKRHNB-UHFFFAOYSA-N
MW243.56 g/mol
LogP2.01
Rot. Bonds2

About ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane

ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane (PubChem CID 142756583) has the molecular formula C3H5Cl3O2S2 and a molecular weight of 243.56 g/mol. Its IUPAC name is ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane.

Molecular Properties

Compound Nameethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane
PubChem CID142756583
Molecular FormulaC3H5Cl3O2S2
Molecular Weight243.56 g/mol
Exact Mass241.88
IUPAC Nameethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane
SMILESCCS(=O)(=S)OC(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3O2S2/c1-2-10(7,9)8-3(4,5)6/h2H2,1H3
InChIKeyLFGZQKUJFKRHNB-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.56
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365
potassium ethyl-oxido-oxo-sulfanylidene-λ6-sulfane
CID 23671444
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
1-ethylsulfonylethane;methoxymethane
CID 174793539
butane;tetrachloromethane
CID 175704167
sodium;dioxido-oxo-sulfanylidene-λ6-sulfane;ethylmercury(1+)
CID 173390375
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928
butane;chloromethane
CID 23360987
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
butane;methyl methanesulfonate
CID 174496202
azane;ethanol;sulfurothioic O-acid
CID 175527325
CID 87964980
CID 87964980

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane?
The IUPAC name of ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane (CID 142756583) is ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane.
What is the SMILES notation for ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane?
The canonical SMILES for ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane is CCS(=O)(=S)OC(Cl)(Cl)Cl.
What is the InChIKey of ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane?
The InChIKey is LFGZQKUJFKRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3O2S2/c1-2-10(7,9)8-3(4,5)6/h2H2,1H3.
What are the key properties of ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane?
ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane has a molecular weight of 243.56 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-sulfanylidene-(trichloromethoxy)-λ6-sulfane is sourced from PubChem (CID 142756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).