3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene

C14H19O3PS2 — CID 59155860

IUPAC3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1cc(C)sc1-c1ccc(C)s1
InChIInChI=1S/C14H19O3PS2/c1-5-16-18(15,17-6-2)12-9-11(4)20-14(12)13-8-7-10(3)19-13/h7-9H,5-6H2,1-4H3
InChIKeySZYLIPZDYMMCDN-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.98
Rot. Bonds6

About 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene

3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene (PubChem CID 59155860) has the molecular formula C14H19O3PS2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene
PubChem CID59155860
Molecular FormulaC14H19O3PS2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1cc(C)sc1-c1ccc(C)s1
InChIInChI=1S/C14H19O3PS2/c1-5-16-18(15,17-6-2)12-9-11(4)20-14(12)13-8-7-10(3)19-13/h7-9H,5-6H2,1-4H3
InChIKeySZYLIPZDYMMCDN-UHFFFAOYSA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene (CID 59155860) is 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene is CCOP(=O)(OCC)c1cc(C)sc1-c1ccc(C)s1.
What is the InChIKey of 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene?
The InChIKey is SZYLIPZDYMMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3PS2/c1-5-16-18(15,17-6-2)12-9-11(4)20-14(12)13-8-7-10(3)19-13/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene?
3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene has a molecular weight of 330.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-5-methyl-2-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 59155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).