chlorophosphonic acid;dichloro(oxido)sulfanium

H2Cl3O4PS — CID 173389843

IUPACchlorophosphonic acid;dichloro(oxido)sulfanium
SMILESO=P(O)(O)Cl.[O-][S+](Cl)Cl
InChIInChI=1S/Cl2OS.ClH2O3P/c1-4(2)3;1-5(2,3)4/h;(H2,2,3,4)
InChIKeyHIEIRNQHJAHZED-UHFFFAOYSA-N
MW235.41 g/mol
LogP1.36
Rot. Bonds

About chlorophosphonic acid;dichloro(oxido)sulfanium

chlorophosphonic acid;dichloro(oxido)sulfanium (PubChem CID 173389843) has the molecular formula H2Cl3O4PS and a molecular weight of 235.41 g/mol. Its IUPAC name is chlorophosphonic acid;dichloro(oxido)sulfanium.

Molecular Properties

Compound Namechlorophosphonic acid;dichloro(oxido)sulfanium
PubChem CID173389843
Molecular FormulaH2Cl3O4PS
Molecular Weight235.41 g/mol
Exact Mass233.85
IUPAC Namechlorophosphonic acid;dichloro(oxido)sulfanium
SMILESO=P(O)(O)Cl.[O-][S+](Cl)Cl
InChIInChI=1S/Cl2OS.ClH2O3P/c1-4(2)3;1-5(2,3)4/h;(H2,2,3,4)
InChIKeyHIEIRNQHJAHZED-UHFFFAOYSA-N
XLogP1.36
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chlorophosphonic acid;dichloro(oxido)sulfanium?
The IUPAC name of chlorophosphonic acid;dichloro(oxido)sulfanium (CID 173389843) is chlorophosphonic acid;dichloro(oxido)sulfanium.
What is the SMILES notation for chlorophosphonic acid;dichloro(oxido)sulfanium?
The canonical SMILES for chlorophosphonic acid;dichloro(oxido)sulfanium is O=P(O)(O)Cl.[O-][S+](Cl)Cl.
What is the InChIKey of chlorophosphonic acid;dichloro(oxido)sulfanium?
The InChIKey is HIEIRNQHJAHZED-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2OS.ClH2O3P/c1-4(2)3;1-5(2,3)4/h;(H2,2,3,4).
What are the key properties of chlorophosphonic acid;dichloro(oxido)sulfanium?
chlorophosphonic acid;dichloro(oxido)sulfanium has a molecular weight of 235.41 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorophosphonic acid;dichloro(oxido)sulfanium is sourced from PubChem (CID 173389843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).