bis(phenylsulfanyl)phosphorylsulfanylbenzene

C18H15OPS3 — CID 6453855

IUPACbis(phenylsulfanyl)phosphorylsulfanylbenzene
SMILESO=P(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H15OPS3/c19-20(21-16-10-4-1-5-11-16,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15H
InChIKeyFDOFFZUCIAAJGM-UHFFFAOYSA-N
MW374.49 g/mol
LogP7.47
Rot. Bonds6

About bis(phenylsulfanyl)phosphorylsulfanylbenzene

bis(phenylsulfanyl)phosphorylsulfanylbenzene (PubChem CID 6453855) has the molecular formula C18H15OPS3 and a molecular weight of 374.49 g/mol. Its IUPAC name is bis(phenylsulfanyl)phosphorylsulfanylbenzene.

Molecular Properties

Compound Namebis(phenylsulfanyl)phosphorylsulfanylbenzene
PubChem CID6453855
Molecular FormulaC18H15OPS3
Molecular Weight374.49 g/mol
Exact Mass374.00
IUPAC Namebis(phenylsulfanyl)phosphorylsulfanylbenzene
SMILESO=P(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H15OPS3/c19-20(21-16-10-4-1-5-11-16,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15H
InChIKeyFDOFFZUCIAAJGM-UHFFFAOYSA-N
XLogP7.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.47
H-Bond Donors ≤ 50
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 bis(phenylsulfanyl)phosphorylsulfanylbenzene?
The IUPAC name of bis(phenylsulfanyl)phosphorylsulfanylbenzene (CID 6453855) is bis(phenylsulfanyl)phosphorylsulfanylbenzene.
What is the SMILES notation for bis(phenylsulfanyl)phosphorylsulfanylbenzene?
The canonical SMILES for bis(phenylsulfanyl)phosphorylsulfanylbenzene is O=P(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of bis(phenylsulfanyl)phosphorylsulfanylbenzene?
The InChIKey is FDOFFZUCIAAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OPS3/c19-20(21-16-10-4-1-5-11-16,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15H.
What are the key properties of bis(phenylsulfanyl)phosphorylsulfanylbenzene?
bis(phenylsulfanyl)phosphorylsulfanylbenzene has a molecular weight of 374.49 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)phosphorylsulfanylbenzene is sourced from PubChem (CID 6453855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).