(E)-2,3-di(thiophen-3-yl)prop-2-enal

C11H8OS2 — CID 134947754

IUPAC(E)-2,3-di(thiophen-3-yl)prop-2-enal
SMILESO=C/C(=C/c1ccsc1)c1ccsc1
InChIInChI=1S/C11H8OS2/c12-6-11(10-2-4-14-8-10)5-9-1-3-13-7-9/h1-8H/b11-5-
InChIKeyVWXZEVGLDLPRMC-WZUFQYTHSA-N
MW220.32 g/mol
LogP3.55
Rot. Bonds3

About (E)-2,3-di(thiophen-3-yl)prop-2-enal

(E)-2,3-di(thiophen-3-yl)prop-2-enal (PubChem CID 134947754) has the molecular formula C11H8OS2 and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-2,3-di(thiophen-3-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-2,3-di(thiophen-3-yl)prop-2-enal
PubChem CID134947754
Molecular FormulaC11H8OS2
Molecular Weight220.32 g/mol
Exact Mass220.00
IUPAC Name(E)-2,3-di(thiophen-3-yl)prop-2-enal
SMILESO=C/C(=C/c1ccsc1)c1ccsc1
InChIInChI=1S/C11H8OS2/c12-6-11(10-2-4-14-8-10)5-9-1-3-13-7-9/h1-8H/b11-5-
InChIKeyVWXZEVGLDLPRMC-WZUFQYTHSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-di(thiophen-3-yl)prop-2-enal?
The IUPAC name of (E)-2,3-di(thiophen-3-yl)prop-2-enal (CID 134947754) is (E)-2,3-di(thiophen-3-yl)prop-2-enal.
What is the SMILES notation for (E)-2,3-di(thiophen-3-yl)prop-2-enal?
The canonical SMILES for (E)-2,3-di(thiophen-3-yl)prop-2-enal is O=C/C(=C/c1ccsc1)c1ccsc1.
What is the InChIKey of (E)-2,3-di(thiophen-3-yl)prop-2-enal?
The InChIKey is VWXZEVGLDLPRMC-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H8OS2/c12-6-11(10-2-4-14-8-10)5-9-1-3-13-7-9/h1-8H/b11-5-.
What are the key properties of (E)-2,3-di(thiophen-3-yl)prop-2-enal?
(E)-2,3-di(thiophen-3-yl)prop-2-enal has a molecular weight of 220.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-di(thiophen-3-yl)prop-2-enal is sourced from PubChem (CID 134947754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).