[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane

C15H23O3PS2Sn — CID 177384544

IUPAC[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
SMILESCCOP(=O)(OCC)c1ccc(-c2ccc([Sn](C)(C)C)s2)s1
InChIInChI=1S/C12H14O3PS2.3CH3.Sn/c1-3-14-16(13,15-4-2)12-8-7-11(18-12)10-6-5-9-17-10;;;;/h5-8H,3-4H2,1-2H3;3*1H3;
InChIKeyZLHZKGAVBVMLKO-UHFFFAOYSA-N
MW465.17 g/mol
LogP4.91
Rot. Bonds7

About [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane

[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane (PubChem CID 177384544) has the molecular formula C15H23O3PS2Sn and a molecular weight of 465.17 g/mol. Its IUPAC name is [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
PubChem CID177384544
Molecular FormulaC15H23O3PS2Sn
Molecular Weight465.17 g/mol
Exact Mass465.98
IUPAC Name[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
SMILESCCOP(=O)(OCC)c1ccc(-c2ccc([Sn](C)(C)C)s2)s1
InChIInChI=1S/C12H14O3PS2.3CH3.Sn/c1-3-14-16(13,15-4-2)12-8-7-11(18-12)10-6-5-9-17-10;;;;/h5-8H,3-4H2,1-2H3;3*1H3;
InChIKeyZLHZKGAVBVMLKO-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.17
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The IUPAC name of [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane (CID 177384544) is [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane is CCOP(=O)(OCC)c1ccc(-c2ccc([Sn](C)(C)C)s2)s1.
What is the InChIKey of [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The InChIKey is ZLHZKGAVBVMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3PS2.3CH3.Sn/c1-3-14-16(13,15-4-2)12-8-7-11(18-12)10-6-5-9-17-10;;;;/h5-8H,3-4H2,1-2H3;3*1H3;.
What are the key properties of [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
[5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane has a molecular weight of 465.17 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 177384544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).