bis[(4-chlorophenyl)sulfanyl]phosphinic acid

C12H9Cl2O2PS2 — CID 11142675

IUPACbis[(4-chlorophenyl)sulfanyl]phosphinic acid
SMILESO=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O2PS2/c13-9-1-5-11(6-2-9)18-17(15,16)19-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKeyAJWMGJDXXJPTIO-UHFFFAOYSA-N
MW351.22 g/mol
LogP5.98
Rot. Bonds4

About bis[(4-chlorophenyl)sulfanyl]phosphinic acid

bis[(4-chlorophenyl)sulfanyl]phosphinic acid (PubChem CID 11142675) has the molecular formula C12H9Cl2O2PS2 and a molecular weight of 351.22 g/mol. Its IUPAC name is bis[(4-chlorophenyl)sulfanyl]phosphinic acid.

Molecular Properties

Compound Namebis[(4-chlorophenyl)sulfanyl]phosphinic acid
PubChem CID11142675
Molecular FormulaC12H9Cl2O2PS2
Molecular Weight351.22 g/mol
Exact Mass349.92
IUPAC Namebis[(4-chlorophenyl)sulfanyl]phosphinic acid
SMILESO=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O2PS2/c13-9-1-5-11(6-2-9)18-17(15,16)19-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKeyAJWMGJDXXJPTIO-UHFFFAOYSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.22
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
CID 70448717
1,4-dichlorobenzene;phosphoric acid
CID 175035024
[(4-chlorophenyl)sulfanyl-phosphono(114C)methyl]phosphonic acid
CID 10663531
(4-chlorophenyl)sulfanylmethylphosphonic acid
CID 86131066
1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene
CID 154722059
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
4-(4-chlorophenyl)sulfanylbutanoate
CID 2307143
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
(4-chlorophenyl) thiohypobromite
CID 12623145
(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21482722
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
3,4-bis[(4-chlorophenyl)sulfanyl]cyclobut-3-ene-1,2-dione
CID 606826

Frequently Asked Questions

What is the IUPAC name of bis[(4-chlorophenyl)sulfanyl]phosphinic acid?
The IUPAC name of bis[(4-chlorophenyl)sulfanyl]phosphinic acid (CID 11142675) is bis[(4-chlorophenyl)sulfanyl]phosphinic acid.
What is the SMILES notation for bis[(4-chlorophenyl)sulfanyl]phosphinic acid?
The canonical SMILES for bis[(4-chlorophenyl)sulfanyl]phosphinic acid is O=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1.
What is the InChIKey of bis[(4-chlorophenyl)sulfanyl]phosphinic acid?
The InChIKey is AJWMGJDXXJPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2O2PS2/c13-9-1-5-11(6-2-9)18-17(15,16)19-12-7-3-10(14)4-8-12/h1-8H,(H,15,16).
What are the key properties of bis[(4-chlorophenyl)sulfanyl]phosphinic acid?
bis[(4-chlorophenyl)sulfanyl]phosphinic acid has a molecular weight of 351.22 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-chlorophenyl)sulfanyl]phosphinic acid is sourced from PubChem (CID 11142675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).