tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane

C29H52O6P2S2Sn — CID 59155850

IUPACtributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(-c2sc(C)cc2P(=O)(OCC)OCC)cc1P(=O)(OCC)OCC
InChIInChI=1S/C17H25O6P2S2.3C4H9.Sn/c1-6-20-24(18,21-7-2)14-11-16(26-12-14)17-15(10-13(5)27-17)25(19,22-8-3)23-9-4;3*1-3-4-2;/h10-11H,6-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyCWWGVPRXKMCJEV-UHFFFAOYSA-N
MW741.52 g/mol
LogP9.62
Rot. Bonds21

About tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane

tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane (PubChem CID 59155850) has the molecular formula C29H52O6P2S2Sn and a molecular weight of 741.52 g/mol. Its IUPAC name is tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane
PubChem CID59155850
Molecular FormulaC29H52O6P2S2Sn
Molecular Weight741.52 g/mol
Exact Mass742.17
IUPAC Nametributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(-c2sc(C)cc2P(=O)(OCC)OCC)cc1P(=O)(OCC)OCC
InChIInChI=1S/C17H25O6P2S2.3C4H9.Sn/c1-6-20-24(18,21-7-2)14-11-16(26-12-14)17-15(10-13(5)27-17)25(19,22-8-3)23-9-4;3*1-3-4-2;/h10-11H,6-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyCWWGVPRXKMCJEV-UHFFFAOYSA-N
XLogP9.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.52
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethoxyphosphorylmethyl)-5-thiophen-2-ylthiophene
CID 57553072
2-(4-Diethoxyphosphorylbutyl)-5-[5-[5-[5-[5-[5-(4-diethoxyphosphorylbutyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11297488
Diethyl(5-hexylthiophen-2-yl)methylphosphonate
CID 11809303
2-(diethoxyphosphorylmethyl)-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 139248890
[5-(5-Diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 177384544
[5-[5-(4-Diethoxyphosphorylphenyl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 177385377
2,5-Bis(diethoxyphosphorylmethyl)thiophene
CID 11246081
3-Diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene
CID 59155808
3-Diethoxyphosphoryl-2-(4-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155810
3-Diethoxyphosphoryl-2,5-dimethylthiophene
CID 59155825
3-Diethoxyphosphoryl-[2,2']-bithiophene
CID 59155828
5,5''-Diiodo-3',4'-bis(diethoxyphosphoryl)-[2,2';5',2'']-terthiophene
CID 59155829

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The IUPAC name of tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane (CID 59155850) is tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1sc(-c2sc(C)cc2P(=O)(OCC)OCC)cc1P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The InChIKey is CWWGVPRXKMCJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O6P2S2.3C4H9.Sn/c1-6-20-24(18,21-7-2)14-11-16(26-12-14)17-15(10-13(5)27-17)25(19,22-8-3)23-9-4;3*1-3-4-2;/h10-11H,6-9H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane?
tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane has a molecular weight of 741.52 g/mol, XLogP of 9.62, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-diethoxyphosphoryl-5-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane is sourced from PubChem (CID 59155850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).