bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride

C12H10Cl3O2PS2 — CID 70448717

IUPACbis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
SMILESCl.O=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O2PS2.ClH/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);1H
InChIKeyVJOIKCFOJJPKAH-UHFFFAOYSA-N
MW387.68 g/mol
LogP6.40
Rot. Bonds4

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

bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride (PubChem CID 70448717) has the molecular formula C12H10Cl3O2PS2 and a molecular weight of 387.68 g/mol. Its IUPAC name is bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride.

Molecular Properties

Compound Namebis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
PubChem CID70448717
Molecular FormulaC12H10Cl3O2PS2
Molecular Weight387.68 g/mol
Exact Mass385.89
IUPAC Namebis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
SMILESCl.O=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O2PS2.ClH/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);1H
InChIKeyVJOIKCFOJJPKAH-UHFFFAOYSA-N
XLogP6.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.68
LogP ≤ 56.40
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
CID 11142675
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
(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
CID 19861228

Frequently Asked Questions

What is the IUPAC name of bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride?
The IUPAC name of bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride (CID 70448717) is bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride.
What is the SMILES notation for bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride?
The canonical SMILES for bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride is Cl.O=P(O)(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1.
What is the InChIKey of bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride?
The InChIKey is VJOIKCFOJJPKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2O2PS2.ClH/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);1H.
What are the key properties of bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride?
bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride has a molecular weight of 387.68 g/mol, XLogP of 6.40, 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;hydrochloride is sourced from PubChem (CID 70448717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).