2,3-di(thiophen-3-yl)oxirane

C10H8OS2 — CID 19001393

IUPAC2,3-di(thiophen-3-yl)oxirane
SMILESc1cc(C2OC2c2ccsc2)cs1
InChIInChI=1S/C10H8OS2/c1-3-12-5-7(1)9-10(11-9)8-2-4-13-6-8/h1-6,9-10H
InChIKeyPGNDFLNUILLQQG-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.62
Rot. Bonds2

About 2,3-di(thiophen-3-yl)oxirane

2,3-di(thiophen-3-yl)oxirane (PubChem CID 19001393) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,3-di(thiophen-3-yl)oxirane.

Molecular Properties

Compound Name2,3-di(thiophen-3-yl)oxirane
PubChem CID19001393
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name2,3-di(thiophen-3-yl)oxirane
SMILESc1cc(C2OC2c2ccsc2)cs1
InChIInChI=1S/C10H8OS2/c1-3-12-5-7(1)9-10(11-9)8-2-4-13-6-8/h1-6,9-10H
InChIKeyPGNDFLNUILLQQG-UHFFFAOYSA-N
XLogP3.62
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(thiophen-3-yl)oxirane?
The IUPAC name of 2,3-di(thiophen-3-yl)oxirane (CID 19001393) is 2,3-di(thiophen-3-yl)oxirane.
What is the SMILES notation for 2,3-di(thiophen-3-yl)oxirane?
The canonical SMILES for 2,3-di(thiophen-3-yl)oxirane is c1cc(C2OC2c2ccsc2)cs1.
What is the InChIKey of 2,3-di(thiophen-3-yl)oxirane?
The InChIKey is PGNDFLNUILLQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c1-3-12-5-7(1)9-10(11-9)8-2-4-13-6-8/h1-6,9-10H.
What are the key properties of 2,3-di(thiophen-3-yl)oxirane?
2,3-di(thiophen-3-yl)oxirane has a molecular weight of 208.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(thiophen-3-yl)oxirane is sourced from PubChem (CID 19001393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).