bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate

C14H12O5S2 — CID 13174265

IUPACbis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate
SMILESO=C(OCc1cccs1)C1OC1C(=O)OCc1cccs1
InChIInChI=1S/C14H12O5S2/c15-13(17-7-9-3-1-5-20-9)11-12(19-11)14(16)18-8-10-4-2-6-21-10/h1-6,11-12H,7-8H2
InChIKeyVUYJOQZLUZWARX-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds6

About bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate

bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate (PubChem CID 13174265) has the molecular formula C14H12O5S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate.

Molecular Properties

Compound Namebis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate
PubChem CID13174265
Molecular FormulaC14H12O5S2
Molecular Weight324.38 g/mol
Exact Mass324.01
IUPAC Namebis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate
SMILESO=C(OCc1cccs1)C1OC1C(=O)OCc1cccs1
InChIInChI=1S/C14H12O5S2/c15-13(17-7-9-3-1-5-20-9)11-12(19-11)14(16)18-8-10-4-2-6-21-10/h1-6,11-12H,7-8H2
InChIKeyVUYJOQZLUZWARX-UHFFFAOYSA-N
XLogP2.36
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate 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 bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate?
The IUPAC name of bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate (CID 13174265) is bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate.
What is the SMILES notation for bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate?
The canonical SMILES for bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate is O=C(OCc1cccs1)C1OC1C(=O)OCc1cccs1.
What is the InChIKey of bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate?
The InChIKey is VUYJOQZLUZWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S2/c15-13(17-7-9-3-1-5-20-9)11-12(19-11)14(16)18-8-10-4-2-6-21-10/h1-6,11-12H,7-8H2.
What are the key properties of bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate?
bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate is sourced from PubChem (CID 13174265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).