2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene

C13H14S2 — CID 146324393

IUPAC2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene
SMILESCC(C)/C=C/c1cc(-c2cccs2)cs1
InChIInChI=1S/C13H14S2/c1-10(2)5-6-12-8-11(9-15-12)13-4-3-7-14-13/h3-10H,1-2H3/b6-5+
InChIKeyVSOMBIYOQCUGPE-AATRIKPKSA-N
MW234.39 g/mol
LogP5.15
Rot. Bonds3

About 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene

2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene (PubChem CID 146324393) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene
PubChem CID146324393
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Name2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene
SMILESCC(C)/C=C/c1cc(-c2cccs2)cs1
InChIInChI=1S/C13H14S2/c1-10(2)5-6-12-8-11(9-15-12)13-4-3-7-14-13/h3-10H,1-2H3/b6-5+
InChIKeyVSOMBIYOQCUGPE-AATRIKPKSA-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 ≤ 500234.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-thiophen-2-ylthiophen-2-yl)but-3-en-2-one
CID 77024205
4-thiophen-2-ylthiophen-2-ol
CID 154302711
2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene
CID 76912952
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
(3S)-6-methyl-3-[(E)-3-(4-thiophen-2-ylthiophen-2-yl)prop-2-enoyl]pyran-2,4-dione
CID 98317933
1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433645
4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
CID 66520195
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
2-[(E)-3-thiophen-2-ylbut-1-enyl]thiophene
CID 134862779

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene (CID 146324393) is 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene is CC(C)/C=C/c1cc(-c2cccs2)cs1.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene?
The InChIKey is VSOMBIYOQCUGPE-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14S2/c1-10(2)5-6-12-8-11(9-15-12)13-4-3-7-14-13/h3-10H,1-2H3/b6-5+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene?
2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene has a molecular weight of 234.39 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-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene is sourced from PubChem (CID 146324393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).