3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene

C16H24O6P2S2 — CID 59155848

IUPAC3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1csc(-c2sccc2P(=O)(OCC)OCC)c1
InChIInChI=1S/C16H24O6P2S2/c1-5-19-23(17,20-6-2)13-11-15(26-12-13)16-14(9-10-25-16)24(18,21-7-3)22-8-4/h9-12H,5-8H2,1-4H3
InChIKeyYWJMNANMLBKRPO-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.26
Rot. Bonds11

About 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene

3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene (PubChem CID 59155848) has the molecular formula C16H24O6P2S2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene
PubChem CID59155848
Molecular FormulaC16H24O6P2S2
Molecular Weight438.44 g/mol
Exact Mass438.05
IUPAC Name3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1csc(-c2sccc2P(=O)(OCC)OCC)c1
InChIInChI=1S/C16H24O6P2S2/c1-5-19-23(17,20-6-2)13-11-15(26-12-13)16-14(9-10-25-16)24(18,21-7-3)22-8-4/h9-12H,5-8H2,1-4H3
InChIKeyYWJMNANMLBKRPO-UHFFFAOYSA-N
XLogP5.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.26
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
Diethyl(5-hexylthiophen-2-yl)methylphosphonate
CID 11809303
Butyl phenyl(2-thienyl)phosphinate
CID 13086840
2-[Ethoxy(phenyl)phosphoryl]thiophene
CID 134935953
2-(diethoxyphosphorylmethyl)-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 139248890
[5-(5-Diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 177384544
2,5-Bis(diethoxyphosphorylmethyl)thiophene
CID 11246081
Diethyl-4-(2-thienyl)butylphosphonate
CID 18680340
5-Dimethoxyphosphoryl-2-methoxy-5-methyl-3-thiophen-2-yl-1,2lambda5-oxaphospholane 2-oxide
CID 20307712
Diethoxy(4-thiophen-2-ylbutyl)phosphane
CID 58371189
2-[1-[Ethoxy(phenyl)phosphoryl]ethenyl]thiophene
CID 58741308
4-[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butylphosphonic acid
CID 58782883

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene?
The IUPAC name of 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene (CID 59155848) is 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene?
The canonical SMILES for 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene is CCOP(=O)(OCC)c1csc(-c2sccc2P(=O)(OCC)OCC)c1.
What is the InChIKey of 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene?
The InChIKey is YWJMNANMLBKRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6P2S2/c1-5-19-23(17,20-6-2)13-11-15(26-12-13)16-14(9-10-25-16)24(18,21-7-3)22-8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene?
3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene has a molecular weight of 438.44 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-(4-diethoxyphosphorylthiophen-2-yl)thiophene is sourced from PubChem (CID 59155848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).