(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane

C19H23OPS2 — CID 101250155

IUPAC(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane
SMILESC[C@@H]1C[C@H](C)SC(C)(P(=O)(c2ccccc2)c2ccccc2)S1
InChIInChI=1S/C19H23OPS2/c1-15-14-16(2)23-19(3,22-15)21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3/t15-,16+,19?
InChIKeyGCVUOHVSRZLSJD-MCPYQZEQSA-N
MW362.50 g/mol
LogP5.32
Rot. Bonds3

About (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane

(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane (PubChem CID 101250155) has the molecular formula C19H23OPS2 and a molecular weight of 362.50 g/mol. Its IUPAC name is (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane.

Molecular Properties

Compound Name(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane
PubChem CID101250155
Molecular FormulaC19H23OPS2
Molecular Weight362.50 g/mol
Exact Mass362.09
IUPAC Name(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane
SMILESC[C@@H]1C[C@H](C)SC(C)(P(=O)(c2ccccc2)c2ccccc2)S1
InChIInChI=1S/C19H23OPS2/c1-15-14-16(2)23-19(3,22-15)21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3/t15-,16+,19?
InChIKeyGCVUOHVSRZLSJD-MCPYQZEQSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane 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 (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane?
The IUPAC name of (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane (CID 101250155) is (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane.
What is the SMILES notation for (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane?
The canonical SMILES for (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane is C[C@@H]1C[C@H](C)SC(C)(P(=O)(c2ccccc2)c2ccccc2)S1.
What is the InChIKey of (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane?
The InChIKey is GCVUOHVSRZLSJD-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H23OPS2/c1-15-14-16(2)23-19(3,22-15)21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3/t15-,16+,19?.
What are the key properties of (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane?
(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane has a molecular weight of 362.50 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane is sourced from PubChem (CID 101250155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).