3-diethoxyphosphoryl-2-thiophen-2-ylthiophene

C12H15O3PS2 — CID 59155828

IUPAC3-diethoxyphosphoryl-2-thiophen-2-ylthiophene
SMILESCCOP(=O)(OCC)c1ccsc1-c1cccs1
InChIInChI=1S/C12H15O3PS2/c1-3-14-16(13,15-4-2)10-7-9-18-12(10)11-6-5-8-17-11/h5-9H,3-4H2,1-2H3
InChIKeyPTQYNNQEZOWZGQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.37
Rot. Bonds6

About 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene

3-diethoxyphosphoryl-2-thiophen-2-ylthiophene (PubChem CID 59155828) has the molecular formula C12H15O3PS2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-thiophen-2-ylthiophene
PubChem CID59155828
Molecular FormulaC12H15O3PS2
Molecular Weight302.36 g/mol
Exact Mass302.02
IUPAC Name3-diethoxyphosphoryl-2-thiophen-2-ylthiophene
SMILESCCOP(=O)(OCC)c1ccsc1-c1cccs1
InChIInChI=1S/C12H15O3PS2/c1-3-14-16(13,15-4-2)10-7-9-18-12(10)11-6-5-8-17-11/h5-9H,3-4H2,1-2H3
InChIKeyPTQYNNQEZOWZGQ-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Thienyldifluoromethylphosphonic acid diethyl ester
CID 10516159
2-[(Z)-2-diethoxyphosphoryl-1-fluorobut-1-enyl]thiophene
CID 178338884
Diethyl (thiophen-2-ylethynyl)phosphonate
CID 11075673
2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
CID 122219694
Diethyl ((thiophen-2-yl)methyl)phosphonate
CID 4185897
2-(1-Dimethoxyphosphorylethenyl)thiophene
CID 166437016
CID 5383939
CID 5383939
2-(Diethoxyphosphorylmethyl)-5-thiophen-2-ylthiophene
CID 57553072
Diethyl(5-hexylthiophen-2-yl)methylphosphonate
CID 11809303
Butyl phenyl(2-thienyl)phosphinate
CID 13086840
2-[(E)-2-dimethoxyphosphorylethenyl]thiophene
CID 21470240
2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]thiophene
CID 44521605

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene?
The IUPAC name of 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene (CID 59155828) is 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene is CCOP(=O)(OCC)c1ccsc1-c1cccs1.
What is the InChIKey of 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene?
The InChIKey is PTQYNNQEZOWZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3PS2/c1-3-14-16(13,15-4-2)10-7-9-18-12(10)11-6-5-8-17-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene?
3-diethoxyphosphoryl-2-thiophen-2-ylthiophene has a molecular weight of 302.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-thiophen-2-ylthiophene is sourced from PubChem (CID 59155828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).