phosphoryl trichloride;sulfane

H2Cl3OPS — CID 159768251

IUPACphosphoryl trichloride;sulfane
SMILESO=P(Cl)(Cl)Cl.S
InChIInChI=1S/Cl3OP.H2S/c1-5(2,3)4;/h;1H2
InChIKeyKFHZDYWGGHANDK-UHFFFAOYSA-N
MW187.41 g/mol
LogP2.92
Rot. Bonds

About phosphoryl trichloride;sulfane

phosphoryl trichloride;sulfane (PubChem CID 159768251) has the molecular formula H2Cl3OPS and a molecular weight of 187.41 g/mol. Its IUPAC name is phosphoryl trichloride;sulfane.

Molecular Properties

Compound Namephosphoryl trichloride;sulfane
PubChem CID159768251
Molecular FormulaH2Cl3OPS
Molecular Weight187.41 g/mol
Exact Mass185.86
IUPAC Namephosphoryl trichloride;sulfane
SMILESO=P(Cl)(Cl)Cl.S
InChIInChI=1S/Cl3OP.H2S/c1-5(2,3)4;/h;1H2
InChIKeyKFHZDYWGGHANDK-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 18471728
calcium;bis(dichlorophosphinate);tetrahydrate
CID 90475593
CID 23618830
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CID 149253211
CID 149253211
dichlorophosphorylmethanol
CID 130324841
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
calcium;cadmium(2+);chloro(fluoro)phosphinate
CID 160785742
CID 21492382
CID 21492382

Frequently Asked Questions

What is the IUPAC name of phosphoryl trichloride;sulfane?
The IUPAC name of phosphoryl trichloride;sulfane (CID 159768251) is phosphoryl trichloride;sulfane.
What is the SMILES notation for phosphoryl trichloride;sulfane?
The canonical SMILES for phosphoryl trichloride;sulfane is O=P(Cl)(Cl)Cl.S.
What is the InChIKey of phosphoryl trichloride;sulfane?
The InChIKey is KFHZDYWGGHANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3OP.H2S/c1-5(2,3)4;/h;1H2.
What are the key properties of phosphoryl trichloride;sulfane?
phosphoryl trichloride;sulfane has a molecular weight of 187.41 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoryl trichloride;sulfane is sourced from PubChem (CID 159768251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).