5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene

C14H15BrS2 — CID 59141183

IUPAC5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene
SMILESCCc1ccsc1/C=C/c1sc(Br)cc1CC
InChIInChI=1S/C14H15BrS2/c1-3-10-7-8-16-12(10)5-6-13-11(4-2)9-14(15)17-13/h5-9H,3-4H2,1-2H3/b6-5+
InChIKeyFXFXJDQJIWYMPY-AATRIKPKSA-N
MW327.31 g/mol
LogP5.87
Rot. Bonds4

About 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene

5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene (PubChem CID 59141183) has the molecular formula C14H15BrS2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene.

Molecular Properties

Compound Name5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene
PubChem CID59141183
Molecular FormulaC14H15BrS2
Molecular Weight327.31 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene
SMILESCCc1ccsc1/C=C/c1sc(Br)cc1CC
InChIInChI=1S/C14H15BrS2/c1-3-10-7-8-16-12(10)5-6-13-11(4-2)9-14(15)17-13/h5-9H,3-4H2,1-2H3/b6-5+
InChIKeyFXFXJDQJIWYMPY-AATRIKPKSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.31
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophene
CID 46850586
2-[(E)-2-(4-bromophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53329956
Thieno(2,3-b)thiophene, 2-bromo-
CID 141178
5-Bromo-[2,2']bithiophenyl
CID 640065
5-Bromo-5'-hexyl-2,2'-bithiophene
CID 59752457
2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
CID 46850583
4-Bromo-2-thiophen-3-ylthiophene
CID 184441
2-Bromo-3,5-dimethylthiophene
CID 15306146
Thieno(2,3-b)thiophene, 3-bromo-
CID 141179
2,2'-(4-Bromobut-1-ene-1,1-diyl)bis(3-methylthiophene)
CID 20060182
3-bromo-2-[(Z)-2-(3-bromothiophen-2-yl)ethenyl]thiophene
CID 1811852
Thiophene, 2-[2-(3-thienyl)ethenyl]-
CID 5375271

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene?
The IUPAC name of 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene (CID 59141183) is 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene.
What is the SMILES notation for 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene?
The canonical SMILES for 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene is CCc1ccsc1/C=C/c1sc(Br)cc1CC.
What is the InChIKey of 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene?
The InChIKey is FXFXJDQJIWYMPY-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15BrS2/c1-3-10-7-8-16-12(10)5-6-13-11(4-2)9-14(15)17-13/h5-9H,3-4H2,1-2H3/b6-5+.
What are the key properties of 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene?
5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene has a molecular weight of 327.31 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2-[(E)-2-(3-ethylthiophen-2-yl)ethenyl]thiophene is sourced from PubChem (CID 59141183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).