2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene

C24H42O12P4S2 — CID 86638409

IUPAC2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene
SMILESCCOP(=O)(OCC)c1csc(-c2scc(P(=O)(OCC)OCC)c2P(=O)(OCC)OCC)c1P(=O)(OCC)OCC
InChIInChI=1S/C24H42O12P4S2/c1-9-29-37(25,30-10-2)19-17-41-23(21(19)39(27,33-13-5)34-14-6)24-22(40(28,35-15-7)36-16-8)20(18-42-24)38(26,31-11-3)32-12-4/h17-18H,9-16H2,1-8H3
InChIKeyCRKBONAKGBUFIV-UHFFFAOYSA-N
MW710.62 g/mol
LogP7.04
Rot. Bonds21

About 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene

2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene (PubChem CID 86638409) has the molecular formula C24H42O12P4S2 and a molecular weight of 710.62 g/mol. Its IUPAC name is 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene.

Molecular Properties

Compound Name2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene
PubChem CID86638409
Molecular FormulaC24H42O12P4S2
Molecular Weight710.62 g/mol
Exact Mass710.11
IUPAC Name2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene
SMILESCCOP(=O)(OCC)c1csc(-c2scc(P(=O)(OCC)OCC)c2P(=O)(OCC)OCC)c1P(=O)(OCC)OCC
InChIInChI=1S/C24H42O12P4S2/c1-9-29-37(25,30-10-2)19-17-41-23(21(19)39(27,33-13-5)34-14-6)24-22(40(28,35-15-7)36-16-8)20(18-42-24)38(26,31-11-3)32-12-4/h17-18H,9-16H2,1-8H3
InChIKeyCRKBONAKGBUFIV-UHFFFAOYSA-N
XLogP7.04
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.62
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

CID 11461408
CID 11461408
3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155843
3-diethoxyphosphoryl-5-[4-diethoxyphosphoryl-5-(3-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-2-(3-diethoxyphosphorylthiophen-2-yl)thiophene
CID 59155812
4-diethoxyphosphoryl-1,3-thiazol-2-amine
CID 13301434
3,4-bis(diethoxyphosphoryl)-2,5-dimethylthiophene;3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene;3-diethoxyphosphoryl-2-(4-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 90967026
3,4-bis(diethoxyphosphoryl)-2,5-diethynylthiophene
CID 102355246
3,4-bis(diethoxyphosphoryl)-2,5-bis[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 59155879
4-diethoxyphosphoryl-3-fluoropyridine
CID 166610029
5-bromo-2-(5-bromothiophen-2-yl)-3-diethoxyphosphorylthiophene
CID 59155856
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
2-diethoxyphosphoryl-3-methylthiophene
CID 53363894
4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole
CID 46839962

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene?
The IUPAC name of 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene (CID 86638409) is 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene.
What is the SMILES notation for 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene?
The canonical SMILES for 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene is CCOP(=O)(OCC)c1csc(-c2scc(P(=O)(OCC)OCC)c2P(=O)(OCC)OCC)c1P(=O)(OCC)OCC.
What is the InChIKey of 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene?
The InChIKey is CRKBONAKGBUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O12P4S2/c1-9-29-37(25,30-10-2)19-17-41-23(21(19)39(27,33-13-5)34-14-6)24-22(40(28,35-15-7)36-16-8)20(18-42-24)38(26,31-11-3)32-12-4/h17-18H,9-16H2,1-8H3.
What are the key properties of 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene?
2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene has a molecular weight of 710.62 g/mol, XLogP of 7.04, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene is sourced from PubChem (CID 86638409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).