diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane

C25H23NP2S2 — CID 5246351

IUPACdiphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane
SMILESCSP(=NP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2S2/c1-30-28(24-18-10-4-11-19-24,25-20-12-5-13-21-25)26-27(29,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21H,1H3
InChIKeyPBQRCEDERDNXST-UHFFFAOYSA-N
MW463.55 g/mol
LogP6.16
Rot. Bonds6

About diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane

diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane (PubChem CID 5246351) has the molecular formula C25H23NP2S2 and a molecular weight of 463.55 g/mol. Its IUPAC name is diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane.

Molecular Properties

Compound Namediphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane
PubChem CID5246351
Molecular FormulaC25H23NP2S2
Molecular Weight463.55 g/mol
Exact Mass463.07
IUPAC Namediphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane
SMILESCSP(=NP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2S2/c1-30-28(24-18-10-4-11-19-24,25-20-12-5-13-21-25)26-27(29,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21H,1H3
InChIKeyPBQRCEDERDNXST-UHFFFAOYSA-N
XLogP6.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane?
The IUPAC name of diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane (CID 5246351) is diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane.
What is the SMILES notation for diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane?
The canonical SMILES for diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane is CSP(=NP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane?
The InChIKey is PBQRCEDERDNXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP2S2/c1-30-28(24-18-10-4-11-19-24,25-20-12-5-13-21-25)26-27(29,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21H,1H3.
What are the key properties of diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane?
diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane has a molecular weight of 463.55 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane is sourced from PubChem (CID 5246351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).