bromo-bis(phenylsulfanyl)phosphane

C12H10BrPS2 — CID 23280624

IUPACbromo-bis(phenylsulfanyl)phosphane
SMILESBrP(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C12H10BrPS2/c13-14(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChIKeyGKUFVSQANJDBPN-UHFFFAOYSA-N
MW329.22 g/mol
LogP6.19
Rot. Bonds4

About bromo-bis(phenylsulfanyl)phosphane

bromo-bis(phenylsulfanyl)phosphane (PubChem CID 23280624) has the molecular formula C12H10BrPS2 and a molecular weight of 329.22 g/mol. Its IUPAC name is bromo-bis(phenylsulfanyl)phosphane.

Molecular Properties

Compound Namebromo-bis(phenylsulfanyl)phosphane
PubChem CID23280624
Molecular FormulaC12H10BrPS2
Molecular Weight329.22 g/mol
Exact Mass327.91
IUPAC Namebromo-bis(phenylsulfanyl)phosphane
SMILESBrP(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C12H10BrPS2/c13-14(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChIKeyGKUFVSQANJDBPN-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.22
LogP ≤ 56.19
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 bromo-bis(phenylsulfanyl)phosphane?
The IUPAC name of bromo-bis(phenylsulfanyl)phosphane (CID 23280624) is bromo-bis(phenylsulfanyl)phosphane.
What is the SMILES notation for bromo-bis(phenylsulfanyl)phosphane?
The canonical SMILES for bromo-bis(phenylsulfanyl)phosphane is BrP(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of bromo-bis(phenylsulfanyl)phosphane?
The InChIKey is GKUFVSQANJDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrPS2/c13-14(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H.
What are the key properties of bromo-bis(phenylsulfanyl)phosphane?
bromo-bis(phenylsulfanyl)phosphane has a molecular weight of 329.22 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-bis(phenylsulfanyl)phosphane is sourced from PubChem (CID 23280624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).