Diphenylselenothiophosphinic acid

C12H10PSSe — CID 11243432

IUPAC—
SMILESS=P([Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10PSSe/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyIEKRAHDIFYRGTL-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.20
Rot. Bonds2

About Diphenylselenothiophosphinic acid

Diphenylselenothiophosphinic acid (PubChem CID 11243432) has the molecular formula C12H10PSSe and a molecular weight of 296.21 g/mol.

Molecular Properties

Compound NameDiphenylselenothiophosphinic acid
PubChem CID11243432
Molecular FormulaC12H10PSSe
Molecular Weight296.21 g/mol
Exact Mass296.94
IUPAC Name—
SMILESS=P([Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10PSSe/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyIEKRAHDIFYRGTL-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
CID 177475534
CID 177475534
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
diphenylphosphorylbenzene;terbium
CID 86595283
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane
CID 161049975
bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))
CID 162410098
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712

Frequently Asked Questions

What is the IUPAC name of Diphenylselenothiophosphinic acid?
The IUPAC name of Diphenylselenothiophosphinic acid (CID 11243432) is not available.
What is the SMILES notation for Diphenylselenothiophosphinic acid?
The canonical SMILES for Diphenylselenothiophosphinic acid is S=P([Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of Diphenylselenothiophosphinic acid?
The InChIKey is IEKRAHDIFYRGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10PSSe/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of Diphenylselenothiophosphinic acid?
Diphenylselenothiophosphinic acid has a molecular weight of 296.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Diphenylselenothiophosphinic acid is sourced from PubChem (CID 11243432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).