2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene

C13H12S2 — CID 14704544

IUPAC2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene
SMILESC=Cc1ccc(-c2ccc(/C=C/C)s2)s1
InChIInChI=1S/C13H12S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h3-9H,2H2,1H3/b5-3+
InChIKeyWZNYJLRTUVEHOF-HWKANZROSA-N
MW232.37 g/mol
LogP5.15
Rot. Bonds3

About 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene

2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene (PubChem CID 14704544) has the molecular formula C13H12S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene
PubChem CID14704544
Molecular FormulaC13H12S2
Molecular Weight232.37 g/mol
Exact Mass232.04
IUPAC Name2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene
SMILESC=Cc1ccc(-c2ccc(/C=C/C)s2)s1
InChIInChI=1S/C13H12S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h3-9H,2H2,1H3/b5-3+
InChIKeyWZNYJLRTUVEHOF-HWKANZROSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene (CID 14704544) is 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene is C=Cc1ccc(-c2ccc(/C=C/C)s2)s1.
What is the InChIKey of 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene?
The InChIKey is WZNYJLRTUVEHOF-HWKANZROSA-N. The full InChI is InChI=1S/C13H12S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h3-9H,2H2,1H3/b5-3+.
What are the key properties of 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene?
2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene has a molecular weight of 232.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 14704544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).