[2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane

C28H37PSSi3 — CID 177466379

About [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane

[2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane (PubChem CID 177466379) has the molecular formula C28H37PSSi3 and a molecular weight of 520.90 g/mol. Its IUPAC name is [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane
• PubChem CID: 177466379
• Molecular Formula: C28H37PSSi3
• Molecular Weight: 520.90 g/mol
• Exact Mass: 520.17
• IUPAC Name: [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane
• SMILES: C[Si](C)(c1ccccc1)C12CCC([Si](C)(C)c3ccccc3)([Si](C)(C)c3ccccc3)P1S2
• InChI: InChI=1S/C28H37PSSi3/c1-31(2,24-16-10-7-11-17-24)27-22-23-28(29(27)30-27,32(3,4)25-18-12-8-13-19-25)33(5,6)26-20-14-9-15-21-26/h7-21H,22-23H2,1-6H3
• InChIKey: FXZQNTSEOOTPSZ-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.90
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane?

The IUPAC name of [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane (CID 177466379) is [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane.

What is the SMILES notation for [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane?

The canonical SMILES for [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C12CCC([Si](C)(C)c3ccccc3)([Si](C)(C)c3ccccc3)P1S2.

What is the InChIKey of [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane?

The InChIKey is FXZQNTSEOOTPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37PSSi3/c1-31(2,24-16-10-7-11-17-24)27-22-23-28(29(27)30-27,32(3,4)25-18-12-8-13-19-25)33(5,6)26-20-14-9-15-21-26/h7-21H,22-23H2,1-6H3.

What are the key properties of [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane?

[2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane has a molecular weight of 520.90 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 177466379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).