4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol

C18H15OPS3 — CID 118589589

IUPAC4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol
SMILESOc1ccc(SP(=S)(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15OPS3/c19-15-11-13-18(14-12-15)23-20(21,16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14,19H
InChIKeyWMIYQHLGKBNDRP-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.91
Rot. Bonds5

About 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol

4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol (PubChem CID 118589589) has the molecular formula C18H15OPS3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol.

Molecular Properties

Compound Name4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol
PubChem CID118589589
Molecular FormulaC18H15OPS3
Molecular Weight374.49 g/mol
Exact Mass374.00
IUPAC Name4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol
SMILESOc1ccc(SP(=S)(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15OPS3/c19-15-11-13-18(14-12-15)23-20(21,16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14,19H
InChIKeyWMIYQHLGKBNDRP-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol?
The IUPAC name of 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol (CID 118589589) is 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol.
What is the SMILES notation for 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol?
The canonical SMILES for 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol is Oc1ccc(SP(=S)(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol?
The InChIKey is WMIYQHLGKBNDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OPS3/c19-15-11-13-18(14-12-15)23-20(21,16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14,19H.
What are the key properties of 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol?
4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol has a molecular weight of 374.49 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl(phenylsulfanyl)phosphinothioyl]sulfanylphenol is sourced from PubChem (CID 118589589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).