3-diphenylphosphorylsulfanylthiolane 1,1-dioxide

C16H17O3PS2 — CID 151776421

IUPAC3-diphenylphosphorylsulfanylthiolane 1,1-dioxide
SMILESO=P(SC1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3PS2/c17-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)21-16-11-12-22(18,19)13-16/h1-10,16H,11-13H2
InChIKeyRTRCZYUDJRCMJG-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.84
Rot. Bonds4

About 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide

3-diphenylphosphorylsulfanylthiolane 1,1-dioxide (PubChem CID 151776421) has the molecular formula C16H17O3PS2 and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-diphenylphosphorylsulfanylthiolane 1,1-dioxide
PubChem CID151776421
Molecular FormulaC16H17O3PS2
Molecular Weight352.42 g/mol
Exact Mass352.04
IUPAC Name3-diphenylphosphorylsulfanylthiolane 1,1-dioxide
SMILESO=P(SC1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3PS2/c17-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)21-16-11-12-22(18,19)13-16/h1-10,16H,11-13H2
InChIKeyRTRCZYUDJRCMJG-UHFFFAOYSA-N
XLogP2.84
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide 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 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide?
The IUPAC name of 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide (CID 151776421) is 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide.
What is the SMILES notation for 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide?
The canonical SMILES for 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide is O=P(SC1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide?
The InChIKey is RTRCZYUDJRCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3PS2/c17-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)21-16-11-12-22(18,19)13-16/h1-10,16H,11-13H2.
What are the key properties of 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide?
3-diphenylphosphorylsulfanylthiolane 1,1-dioxide has a molecular weight of 352.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylsulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 151776421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).