sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane

C2H5NaO3S2 — CID 87801078

IUPACsodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);/q;+1/p-1
InChIKeyHLLMICMHTKJPJM-UHFFFAOYSA-M
MW164.18 g/mol
LogP-3.18
Rot. Bonds2

About sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane

sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 87801078) has the molecular formula C2H5NaO3S2 and a molecular weight of 164.18 g/mol. Its IUPAC name is sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane
PubChem CID87801078
Molecular FormulaC2H5NaO3S2
Molecular Weight164.18 g/mol
Exact Mass163.96
IUPAC Namesodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);/q;+1/p-1
InChIKeyHLLMICMHTKJPJM-UHFFFAOYSA-M
XLogP-3.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Ethoxysulfinyl)oxidanide
CID 12658898
Sodium ethylsulphite
CID 23687551
Sodium propylthiosulfate
CID 86585632
Propyl thiosulfonate
CID 89717748
athylunterschwefligsaurem Natrium
CID 129642487
Sodium sulfenatooxyethane
CID 23700765
CID 87964980
CID 87964980
Ethoxy-oxido-sulfanylidene-lambda4-sulfane
CID 89346157
CID 118689788
CID 118689788
Sodium propyl sulfite
CID 140992330
Ethoxysulfinyl sulfite
CID 148546254
Sodium sulfonatosulfanylsulfonyloxyethane
CID 157681325

Frequently Asked Questions

What is the IUPAC name of sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane (CID 87801078) is sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane is CCOS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is HLLMICMHTKJPJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);/q;+1/p-1.
What are the key properties of sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 164.18 g/mol, XLogP of -3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 87801078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).