[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane

C36H74O6P2SSn2 — CID 86638412

IUPAC[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc([Sn](CCCC)(CCCC)CCCC)c(P(=O)(OCC)OCC)c1P(=O)(OCC)OCC
InChIInChI=1S/C12H20O6P2S.6C4H9.2Sn/c1-5-15-19(13,16-6-2)11-9-21-10-12(11)20(14,17-7-3)18-8-4;6*1-3-4-2;;/h5-8H2,1-4H3;6*1,3-4H2,2H3;;
InChIKeyXTCFTTBVKMJZID-UHFFFAOYSA-N
MW934.42 g/mol
LogP11.64
Rot. Bonds30

About [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane

[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane (PubChem CID 86638412) has the molecular formula C36H74O6P2SSn2 and a molecular weight of 934.42 g/mol. Its IUPAC name is [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane.

Molecular Properties

Compound Name[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane
PubChem CID86638412
Molecular FormulaC36H74O6P2SSn2
Molecular Weight934.42 g/mol
Exact Mass936.27
IUPAC Name[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc([Sn](CCCC)(CCCC)CCCC)c(P(=O)(OCC)OCC)c1P(=O)(OCC)OCC
InChIInChI=1S/C12H20O6P2S.6C4H9.2Sn/c1-5-15-19(13,16-6-2)11-9-21-10-12(11)20(14,17-7-3)18-8-4;6*1-3-4-2;;/h5-8H2,1-4H3;6*1,3-4H2,2H3;;
InChIKeyXTCFTTBVKMJZID-UHFFFAOYSA-N
XLogP11.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.42
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane?
The IUPAC name of [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane (CID 86638412) is [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane.
What is the SMILES notation for [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane?
The canonical SMILES for [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1sc([Sn](CCCC)(CCCC)CCCC)c(P(=O)(OCC)OCC)c1P(=O)(OCC)OCC.
What is the InChIKey of [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane?
The InChIKey is XTCFTTBVKMJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6P2S.6C4H9.2Sn/c1-5-15-19(13,16-6-2)11-9-21-10-12(11)20(14,17-7-3)18-8-4;6*1-3-4-2;;/h5-8H2,1-4H3;6*1,3-4H2,2H3;;.
What are the key properties of [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane?
[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane has a molecular weight of 934.42 g/mol, XLogP of 11.64, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane is sourced from PubChem (CID 86638412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).