phosphoryl trichloride;thionyl dichloride;trichlorophosphane

Cl8O2P2S — CID 159449700

IUPACphosphoryl trichloride;thionyl dichloride;trichlorophosphane
SMILESClP(Cl)Cl.O=P(Cl)(Cl)Cl.O=S(Cl)Cl
InChIInChI=1S/Cl3OP.Cl3P.Cl2OS/c1-5(2,3)4;2*1-4(2)3
InChIKeyLTFDXBQXLHJJDU-UHFFFAOYSA-N
MW409.64 g/mol
LogP6.78
Rot. Bonds

About phosphoryl trichloride;thionyl dichloride;trichlorophosphane

phosphoryl trichloride;thionyl dichloride;trichlorophosphane (PubChem CID 159449700) has the molecular formula Cl8O2P2S and a molecular weight of 409.64 g/mol. Its IUPAC name is phosphoryl trichloride;thionyl dichloride;trichlorophosphane.

Molecular Properties

Compound Namephosphoryl trichloride;thionyl dichloride;trichlorophosphane
PubChem CID159449700
Molecular FormulaCl8O2P2S
Molecular Weight409.64 g/mol
Exact Mass405.66
IUPAC Namephosphoryl trichloride;thionyl dichloride;trichlorophosphane
SMILESClP(Cl)Cl.O=P(Cl)(Cl)Cl.O=S(Cl)Cl
InChIInChI=1S/Cl3OP.Cl3P.Cl2OS/c1-5(2,3)4;2*1-4(2)3
InChIKeyLTFDXBQXLHJJDU-UHFFFAOYSA-N
XLogP6.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoryl trichloride;thionyl dichloride;trichlorophosphane?
The IUPAC name of phosphoryl trichloride;thionyl dichloride;trichlorophosphane (CID 159449700) is phosphoryl trichloride;thionyl dichloride;trichlorophosphane.
What is the SMILES notation for phosphoryl trichloride;thionyl dichloride;trichlorophosphane?
The canonical SMILES for phosphoryl trichloride;thionyl dichloride;trichlorophosphane is ClP(Cl)Cl.O=P(Cl)(Cl)Cl.O=S(Cl)Cl.
What is the InChIKey of phosphoryl trichloride;thionyl dichloride;trichlorophosphane?
The InChIKey is LTFDXBQXLHJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3OP.Cl3P.Cl2OS/c1-5(2,3)4;2*1-4(2)3.
What are the key properties of phosphoryl trichloride;thionyl dichloride;trichlorophosphane?
phosphoryl trichloride;thionyl dichloride;trichlorophosphane has a molecular weight of 409.64 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoryl trichloride;thionyl dichloride;trichlorophosphane is sourced from PubChem (CID 159449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).