bis(phenylsulfanyl)phosphane

C12H11PS2 — CID 69055094

IUPACbis(phenylsulfanyl)phosphane
SMILESc1ccc(SPSc2ccccc2)cc1
InChIInChI=1S/C12H11PS2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h1-10,13H
InChIKeyDPAWAPILJAWOAP-UHFFFAOYSA-N
MW250.33 g/mol
LogP5.08
Rot. Bonds4

About bis(phenylsulfanyl)phosphane

bis(phenylsulfanyl)phosphane (PubChem CID 69055094) has the molecular formula C12H11PS2 and a molecular weight of 250.33 g/mol. Its IUPAC name is bis(phenylsulfanyl)phosphane.

Molecular Properties

Compound Namebis(phenylsulfanyl)phosphane
PubChem CID69055094
Molecular FormulaC12H11PS2
Molecular Weight250.33 g/mol
Exact Mass250.00
IUPAC Namebis(phenylsulfanyl)phosphane
SMILESc1ccc(SPSc2ccccc2)cc1
InChIInChI=1S/C12H11PS2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h1-10,13H
InChIKeyDPAWAPILJAWOAP-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.08
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 bis(phenylsulfanyl)phosphane?
The IUPAC name of bis(phenylsulfanyl)phosphane (CID 69055094) is bis(phenylsulfanyl)phosphane.
What is the SMILES notation for bis(phenylsulfanyl)phosphane?
The canonical SMILES for bis(phenylsulfanyl)phosphane is c1ccc(SPSc2ccccc2)cc1.
What is the InChIKey of bis(phenylsulfanyl)phosphane?
The InChIKey is DPAWAPILJAWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11PS2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of bis(phenylsulfanyl)phosphane?
bis(phenylsulfanyl)phosphane has a molecular weight of 250.33 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)phosphane is sourced from PubChem (CID 69055094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).