[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium

HO3PS3 — CID 173275621

IUPAC[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium
SMILESO=[P+]([O-])[S+]([O-])SS
InChIInChI=1S/HO3PS3/c1-4(2)7(3)6-5/h5H
InChIKeyXUMBKNSYHHXBRP-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.25
Rot. Bonds2

About [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium

[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium (PubChem CID 173275621) has the molecular formula HO3PS3 and a molecular weight of 176.18 g/mol. Its IUPAC name is [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium.

Molecular Properties

Compound Name[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium
PubChem CID173275621
Molecular FormulaHO3PS3
Molecular Weight176.18 g/mol
Exact Mass175.88
IUPAC Name[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium
SMILESO=[P+]([O-])[S+]([O-])SS
InChIInChI=1S/HO3PS3/c1-4(2)7(3)6-5/h5H
InChIKeyXUMBKNSYHHXBRP-UHFFFAOYSA-N
XLogP0.25
TPSA63.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium?
The IUPAC name of [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium (CID 173275621) is [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium.
What is the SMILES notation for [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium?
The canonical SMILES for [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium is O=[P+]([O-])[S+]([O-])SS.
What is the InChIKey of [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium?
The InChIKey is XUMBKNSYHHXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/HO3PS3/c1-4(2)7(3)6-5/h5H.
What are the key properties of [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium?
[disulfanyl(oxido)sulfonio]-oxido-oxophosphanium has a molecular weight of 176.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [disulfanyl(oxido)sulfonio]-oxido-oxophosphanium is sourced from PubChem (CID 173275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).