disodium;sulfonatoformate

CNa2O5S — CID 87328588

IUPACdisodium;sulfonatoformate
SMILESO=C([O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/CH2O5S.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H,4,5,6);;/q;2*+1/p-2
InChIKeyNCNJTXFMUDRULI-UHFFFAOYSA-L
MW170.05 g/mol
LogP-8.12
Rot. Bonds

About disodium;sulfonatoformate

disodium;sulfonatoformate (PubChem CID 87328588) has the molecular formula CNa2O5S and a molecular weight of 170.05 g/mol. Its IUPAC name is disodium;sulfonatoformate.

Molecular Properties

Compound Namedisodium;sulfonatoformate
PubChem CID87328588
Molecular FormulaCNa2O5S
Molecular Weight170.05 g/mol
Exact Mass169.93
IUPAC Namedisodium;sulfonatoformate
SMILESO=C([O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/CH2O5S.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H,4,5,6);;/q;2*+1/p-2
InChIKeyNCNJTXFMUDRULI-UHFFFAOYSA-L
XLogP-8.12
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.05
LogP ≤ 5-8.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

tetrasodium;carbonate;sulfate;hydrate
CID 86598986
aluminum;lithium;carbonate;sulfate
CID 159509946
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CID 140564969
calcium;strontium;carbonate;sulfate
CID 141433179
calcium;manganese(2+);carbonate;sulfate
CID 161081883
strontium;zinc;carbonate;sulfate
CID 168986358
dizinc;oxalate;sulfate
CID 21482692
hexadecasodium;octacarbonate
CID 141056250
disodium;carbonic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18517882
bis(manganese(2+));acetate;sulfate
CID 19995630
CID 71350371
CID 71350371
sodium 1-hydroxyethenesulfonate
CID 23720822

Frequently Asked Questions

What is the IUPAC name of disodium;sulfonatoformate?
The IUPAC name of disodium;sulfonatoformate (CID 87328588) is disodium;sulfonatoformate.
What is the SMILES notation for disodium;sulfonatoformate?
The canonical SMILES for disodium;sulfonatoformate is O=C([O-])S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;sulfonatoformate?
The InChIKey is NCNJTXFMUDRULI-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O5S.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H,4,5,6);;/q;2*+1/p-2.
What are the key properties of disodium;sulfonatoformate?
disodium;sulfonatoformate has a molecular weight of 170.05 g/mol, XLogP of -8.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;sulfonatoformate is sourced from PubChem (CID 87328588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).