3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene

C20H26O4P2S3 — CID 59155808

IUPAC3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1P(C)(C)=O
InChIInChI=1S/C20H26O4P2S3/c1-7-23-26(22,24-8-2)18-17(25(5,6)21)19(15-11-9-13(3)27-15)29-20(18)16-12-10-14(4)28-16/h9-12H,7-8H2,1-6H3
InChIKeyGXCQYOJIXHJBKI-UHFFFAOYSA-N
MW488.57 g/mol
LogP6.96
Rot. Bonds8

About 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene

3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene (PubChem CID 59155808) has the molecular formula C20H26O4P2S3 and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene
PubChem CID59155808
Molecular FormulaC20H26O4P2S3
Molecular Weight488.57 g/mol
Exact Mass488.05
IUPAC Name3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1P(C)(C)=O
InChIInChI=1S/C20H26O4P2S3/c1-7-23-26(22,24-8-2)18-17(25(5,6)21)19(15-11-9-13(3)27-15)29-20(18)16-12-10-14(4)28-16/h9-12H,7-8H2,1-6H3
InChIKeyGXCQYOJIXHJBKI-UHFFFAOYSA-N
XLogP6.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
2-[5-[5-(5-Hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethylphosphonic acid
CID 101466632
2-[5-(5-Bromothiophen-2-yl)thiophen-2-yl]-5-(4-diethoxyphosphorylbutyl)thiophene
CID 135079642
2-(diethoxyphosphorylmethyl)-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 139248890
[5-(5-Diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 177384544
Methyl 2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethyl hydrogen phosphate
CID 57710054
4-[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butylphosphonic acid
CID 58782883
3-Diethoxyphosphoryl-2-(4-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155810
3-Diethoxyphosphoryl-5-[4-diethoxyphosphoryl-5-(3-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-2-(3-diethoxyphosphorylthiophen-2-yl)thiophene
CID 59155812
3,4-Bis(diethoxyphosphoryl)-2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 59155819
3-Dibutoxyphosphoryl-2-[4-dibutoxyphosphoryl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 59155820

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene (CID 59155808) is 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene is CCOP(=O)(OCC)c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1P(C)(C)=O.
What is the InChIKey of 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene?
The InChIKey is GXCQYOJIXHJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4P2S3/c1-7-23-26(22,24-8-2)18-17(25(5,6)21)19(15-11-9-13(3)27-15)29-20(18)16-12-10-14(4)28-16/h9-12H,7-8H2,1-6H3.
What are the key properties of 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene?
3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene has a molecular weight of 488.57 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 59155808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).