bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride

C12H10Cl3OPS — CID 70448915

IUPACbis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride
SMILESCl.OP(=S)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C12H9Cl2OPS.ClH/c13-9-5-1-3-7-11(9)16(15,17)12-8-4-2-6-10(12)14;/h1-8H,(H,15,17);1H
InChIKeyCXMDUHCNIRKETI-UHFFFAOYSA-N
MW339.61 g/mol
LogP3.75
Rot. Bonds2

About bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride

bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride (PubChem CID 70448915) has the molecular formula C12H10Cl3OPS and a molecular weight of 339.61 g/mol. Its IUPAC name is bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Namebis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride
PubChem CID70448915
Molecular FormulaC12H10Cl3OPS
Molecular Weight339.61 g/mol
Exact Mass337.93
IUPAC Namebis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride
SMILESCl.OP(=S)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C12H9Cl2OPS.ClH/c13-9-5-1-3-7-11(9)16(15,17)12-8-4-2-6-10(12)14;/h1-8H,(H,15,17);1H
InChIKeyCXMDUHCNIRKETI-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride?
The IUPAC name of bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride (CID 70448915) is bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride.
What is the SMILES notation for bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride?
The canonical SMILES for bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride is Cl.OP(=S)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride?
The InChIKey is CXMDUHCNIRKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2OPS.ClH/c13-9-5-1-3-7-11(9)16(15,17)12-8-4-2-6-10(12)14;/h1-8H,(H,15,17);1H.
What are the key properties of bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride?
bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride has a molecular weight of 339.61 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorophenyl)-hydroxy-sulfanylidene-λ5-phosphane;hydrochloride is sourced from PubChem (CID 70448915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).