oxido(dioxo)-lambda6-sulfane

HO3S- — CID 656472

IUPACoxido(dioxo)-lambda6-sulfane
SMILESO=[SH](=O)[O-]
InChIInChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1
InChIKeyBDHFUVZGWQCTTF-UHFFFAOYSA-M
MW81.07 g/mol
LogP-1.27
Rot. Bonds

About oxido(dioxo)-lambda6-sulfane

oxido(dioxo)-lambda6-sulfane (PubChem CID 656472) has the molecular formula HO3S- and a molecular weight of 81.07 g/mol. Its IUPAC name is oxido(dioxo)-lambda6-sulfane.

Molecular Properties

Compound Nameoxido(dioxo)-lambda6-sulfane
PubChem CID656472
Molecular FormulaHO3S-
Molecular Weight81.07 g/mol
Exact Mass80.97
IUPAC Nameoxido(dioxo)-lambda6-sulfane
SMILESO=[SH](=O)[O-]
InChIInChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1
InChIKeyBDHFUVZGWQCTTF-UHFFFAOYSA-M
XLogP-1.27
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxido(dioxo)-lambda6-sulfane?
The IUPAC name of oxido(dioxo)-lambda6-sulfane (CID 656472) is oxido(dioxo)-lambda6-sulfane.
What is the SMILES notation for oxido(dioxo)-lambda6-sulfane?
The canonical SMILES for oxido(dioxo)-lambda6-sulfane is O=[SH](=O)[O-].
What is the InChIKey of oxido(dioxo)-lambda6-sulfane?
The InChIKey is BDHFUVZGWQCTTF-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1.
What are the key properties of oxido(dioxo)-lambda6-sulfane?
oxido(dioxo)-lambda6-sulfane has a molecular weight of 81.07 g/mol, XLogP of -1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(dioxo)-lambda6-sulfane is sourced from PubChem (CID 656472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).