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

C6H7Cl2O3PS — CID 57230559

IUPAC[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid
SMILESO=P(O)(O)S(Cl)(Cl)c1ccccc1
InChIInChI=1S/C6H7Cl2O3PS/c7-13(8,12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyJDSCZOATALGQTK-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.25
Rot. Bonds2

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

[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid (PubChem CID 57230559) has the molecular formula C6H7Cl2O3PS and a molecular weight of 261.07 g/mol. Its IUPAC name is [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid.

Molecular Properties

Compound Name[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid
PubChem CID57230559
Molecular FormulaC6H7Cl2O3PS
Molecular Weight261.07 g/mol
Exact Mass259.92
IUPAC Name[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid
SMILESO=P(O)(O)S(Cl)(Cl)c1ccccc1
InChIInChI=1S/C6H7Cl2O3PS/c7-13(8,12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyJDSCZOATALGQTK-UHFFFAOYSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(triphenyl-λ4-sulfanyl)phosphonic acid
CID 22572124
[dibromo(phenyl)-λ4-sulfanyl]phosphonic acid
CID 88832460
CID 70504885
CID 70504885
phenol;phosphoric acid
CID 157339539
benzene;benzenesulfonyl chloride
CID 87647314
chloro(triphenyl)-λ4-sulfane
CID 153467777
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
CID 134935311
CID 66766975
CID 66766975
phenylalumane;phosphoric acid
CID 174850523
benzenesulfonyl chloride;iron
CID 174954068
dimethylphosphoryl(phenyl)methanol
CID 58658737
phosphoric acid;phthalic acid
CID 175071379

Frequently Asked Questions

What is the IUPAC name of [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid?
The IUPAC name of [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid (CID 57230559) is [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid.
What is the SMILES notation for [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid?
The canonical SMILES for [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid is O=P(O)(O)S(Cl)(Cl)c1ccccc1.
What is the InChIKey of [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid?
The InChIKey is JDSCZOATALGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2O3PS/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 [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid?
[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid has a molecular weight of 261.07 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phenyl)-λ4-sulfanyl]phosphonic acid is sourced from PubChem (CID 57230559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).