[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid

C6H7Br2O3PS — CID 88832460

IUPAC[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid
SMILESO=P(O)(O)S(Br)(Br)c1ccccc1
InChIInChI=1S/C6H7Br2O3PS/c7-13(8,12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyGECGGWBKABTZGH-UHFFFAOYSA-N
MW349.97 g/mol
LogP3.56
Rot. Bonds2

About [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid

[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid (PubChem CID 88832460) has the molecular formula C6H7Br2O3PS and a molecular weight of 349.97 g/mol. Its IUPAC name is [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid.

Molecular Properties

Compound Name[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid
PubChem CID88832460
Molecular FormulaC6H7Br2O3PS
Molecular Weight349.97 g/mol
Exact Mass347.82
IUPAC Name[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid
SMILESO=P(O)(O)S(Br)(Br)c1ccccc1
InChIInChI=1S/C6H7Br2O3PS/c7-13(8,12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyGECGGWBKABTZGH-UHFFFAOYSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.97
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid?
The IUPAC name of [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid (CID 88832460) is [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid.
What is the SMILES notation for [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid?
The canonical SMILES for [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid is O=P(O)(O)S(Br)(Br)c1ccccc1.
What is the InChIKey of [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid?
The InChIKey is GECGGWBKABTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2O3PS/c7-13(8,12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11).
What are the key properties of [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid?
[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid has a molecular weight of 349.97 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dibromo(phenyl)-λ4-sulfanyl]phosphonic acid is sourced from PubChem (CID 88832460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).