hydroxy(oxo)-λ4-sulfane

H2O2S — CID 5326661

IUPAChydroxy(oxo)-λ4-sulfane
SMILESO=[SH]O
InChIInChI=1S/H2O2S/c1-3-2/h3H,(H,1,2)
InChIKeyBUUPQKDIAURBJP-UHFFFAOYSA-N
MW66.08 g/mol
LogP-0.60
Rot. Bonds

About hydroxy(oxo)-λ4-sulfane

hydroxy(oxo)-λ4-sulfane (PubChem CID 5326661) has the molecular formula H2O2S and a molecular weight of 66.08 g/mol. Its IUPAC name is hydroxy(oxo)-λ4-sulfane.

Molecular Properties

Compound Namehydroxy(oxo)-λ4-sulfane
PubChem CID5326661
Molecular FormulaH2O2S
Molecular Weight66.08 g/mol
Exact Mass65.98
IUPAC Namehydroxy(oxo)-λ4-sulfane
SMILESO=[SH]O
InChIInChI=1S/H2O2S/c1-3-2/h3H,(H,1,2)
InChIKeyBUUPQKDIAURBJP-UHFFFAOYSA-N
XLogP-0.60
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.08
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)-λ4-sulfane?
The IUPAC name of hydroxy(oxo)-λ4-sulfane (CID 5326661) is hydroxy(oxo)-λ4-sulfane.
What is the SMILES notation for hydroxy(oxo)-λ4-sulfane?
The canonical SMILES for hydroxy(oxo)-λ4-sulfane is O=[SH]O.
What is the InChIKey of hydroxy(oxo)-λ4-sulfane?
The InChIKey is BUUPQKDIAURBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O2S/c1-3-2/h3H,(H,1,2).
What are the key properties of hydroxy(oxo)-λ4-sulfane?
hydroxy(oxo)-λ4-sulfane has a molecular weight of 66.08 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)-λ4-sulfane is sourced from PubChem (CID 5326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).