disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane

C12H11PS4 — CID 87476152

IUPACdisulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(SS)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11PS4/c14-13(17-15,11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H
InChIKeyGIAMGWRIXLUDJS-UHFFFAOYSA-N
MW314.46 g/mol
LogP4.99
Rot. Bonds4

About disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane

disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87476152) has the molecular formula C12H11PS4 and a molecular weight of 314.46 g/mol. Its IUPAC name is disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedisulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87476152
Molecular FormulaC12H11PS4
Molecular Weight314.46 g/mol
Exact Mass313.95
IUPAC Namedisulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(SS)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11PS4/c14-13(17-15,11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H
InChIKeyGIAMGWRIXLUDJS-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane (CID 87476152) is disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane is S=P(SS)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is GIAMGWRIXLUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11PS4/c14-13(17-15,11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H.
What are the key properties of disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane?
disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 314.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87476152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).