diphenoxy-sulfanylidene-sulfido-λ5-phosphane

C12H10O2PS2- — CID 3553797

IUPACdiphenoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESS=P([S-])(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,16,17)/p-1
InChIKeyCKSHRDPCFLDKPV-UHFFFAOYSA-M
MW281.32 g/mol
LogP3.92
Rot. Bonds4

About diphenoxy-sulfanylidene-sulfido-λ5-phosphane

diphenoxy-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 3553797) has the molecular formula C12H10O2PS2- and a molecular weight of 281.32 g/mol. Its IUPAC name is diphenoxy-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namediphenoxy-sulfanylidene-sulfido-λ5-phosphane
PubChem CID3553797
Molecular FormulaC12H10O2PS2-
Molecular Weight281.32 g/mol
Exact Mass280.99
IUPAC Namediphenoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESS=P([S-])(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,16,17)/p-1
InChIKeyCKSHRDPCFLDKPV-UHFFFAOYSA-M
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze diphenoxy-sulfanylidene-sulfido-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
zinc bis(bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 18762380
sodium bis(3-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 88813408
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
dihydroxy-[hydroxy(phenoxy)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 87475598
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
4-[hydroxy(phenoxy)phosphinothioyl]oxybenzonitrile
CID 18783591
phenoxy-phenyl-silyl-sulfanylidene-λ5-phosphane
CID 174962173
chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
CID 14812628
diphenoxy-sulfanyl-sulfanylidene-λ5-phosphane azide
CID 172686143
isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
CID 172773715
N,N'-bis(diphenoxyphosphinothioyl)ethanedithioamide
CID 141224594

Frequently Asked Questions

What is the IUPAC name of diphenoxy-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of diphenoxy-sulfanylidene-sulfido-λ5-phosphane (CID 3553797) is diphenoxy-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for diphenoxy-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for diphenoxy-sulfanylidene-sulfido-λ5-phosphane is S=P([S-])(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxy-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is CKSHRDPCFLDKPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,16,17)/p-1.
What are the key properties of diphenoxy-sulfanylidene-sulfido-λ5-phosphane?
diphenoxy-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 281.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxy-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 3553797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).