sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane

C2H5NaO5S2 — CID 174270371

IUPACsodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCOS(=O)([O-])=S.O=CO.[Na+]
InChIInChI=1S/CH4O3S2.CH2O2.Na/c1-4-6(2,3)5;2-1-3;/h1H3,(H,2,3,5);1H,(H,2,3);/q;;+1/p-1
InChIKeyPHVDLRKPDYQXGH-UHFFFAOYSA-M
MW196.18 g/mol
LogP-3.87
Rot. Bonds1

About sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane

sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 174270371) has the molecular formula C2H5NaO5S2 and a molecular weight of 196.18 g/mol. Its IUPAC name is sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
PubChem CID174270371
Molecular FormulaC2H5NaO5S2
Molecular Weight196.18 g/mol
Exact Mass195.95
IUPAC Namesodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCOS(=O)([O-])=S.O=CO.[Na+]
InChIInChI=1S/CH4O3S2.CH2O2.Na/c1-4-6(2,3)5;2-1-3;/h1H3,(H,2,3,5);1H,(H,2,3);/q;;+1/p-1
InChIKeyPHVDLRKPDYQXGH-UHFFFAOYSA-M
XLogP-3.87
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-3.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688
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CID 18448863
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Frequently Asked Questions

What is the IUPAC name of sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane (CID 174270371) is sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane is COS(=O)([O-])=S.O=CO.[Na+].
What is the InChIKey of sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is PHVDLRKPDYQXGH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S2.CH2O2.Na/c1-4-6(2,3)5;2-1-3;/h1H3,(H,2,3,5);1H,(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane?
sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 196.18 g/mol, XLogP of -3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 174270371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).