disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid

C3H6Na2O6S2 — CID 162247764

IUPACdisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=S([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C3H6O3.2Na.H2O3S2/c1-2(4)3(5)6;;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyZXOLJSYOLACENK-UHFFFAOYSA-L
MW248.19 g/mol
LogP-7.55
Rot. Bonds1

About disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid

disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid (PubChem CID 162247764) has the molecular formula C3H6Na2O6S2 and a molecular weight of 248.19 g/mol. Its IUPAC name is disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid.

Molecular Properties

Compound Namedisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid
PubChem CID162247764
Molecular FormulaC3H6Na2O6S2
Molecular Weight248.19 g/mol
Exact Mass247.94
IUPAC Namedisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=S([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C3H6O3.2Na.H2O3S2/c1-2(4)3(5)6;;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyZXOLJSYOLACENK-UHFFFAOYSA-L
XLogP-7.55
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-7.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

disodium;carbonic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18517882
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
2-hydroxypropanoic acid
CID 87075455
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
copper;2-hydroxypropanoic acid;sulfuric acid
CID 10220619
magnesium;sodium;hydride;2-hydroxypropanoic acid
CID 175010169
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 131877347
CID 131877347
CID 123133976
CID 123133976
bis(2-hydroxypropanoic acid);titanium
CID 173417954

Frequently Asked Questions

What is the IUPAC name of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid?
The IUPAC name of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid (CID 162247764) is disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid.
What is the SMILES notation for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid?
The canonical SMILES for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid is CC(O)C(=O)O.O=S([O-])([O-])=S.[Na+].[Na+].
What is the InChIKey of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid?
The InChIKey is ZXOLJSYOLACENK-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O3.2Na.H2O3S2/c1-2(4)3(5)6;;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid?
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid has a molecular weight of 248.19 g/mol, XLogP of -7.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;2-hydroxypropanoic acid is sourced from PubChem (CID 162247764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).