2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene

C14H9BrS2 — CID 14696263

IUPAC2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
SMILESBrc1ccc(/C=C/c2cc3ccccc3s2)s1
InChIInChI=1S/C14H9BrS2/c15-14-8-7-11(17-14)5-6-12-9-10-3-1-2-4-13(10)16-12/h1-9H/b6-5+
InChIKeyUQOXQHUTWONJCD-AATRIKPKSA-N
MW321.26 g/mol
LogP5.90
Rot. Bonds2

About 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene

2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene (PubChem CID 14696263) has the molecular formula C14H9BrS2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
PubChem CID14696263
Molecular FormulaC14H9BrS2
Molecular Weight321.26 g/mol
Exact Mass319.93
IUPAC Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
SMILESBrc1ccc(/C=C/c2cc3ccccc3s2)s1
InChIInChI=1S/C14H9BrS2/c15-14-8-7-11(17-14)5-6-12-9-10-3-1-2-4-13(10)16-12/h1-9H/b6-5+
InChIKeyUQOXQHUTWONJCD-AATRIKPKSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[5-(3-bromopropyl)thiophen-2-yl]ethenyl]-1-benzothiophene
CID 14696268
3-(1-benzothiophen-2-yl)-1-[4-[(5-bromothiophen-2-yl)methylideneamino]phenyl]prop-2-en-1-one
CID 138377261
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129
3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]benzaldehyde
CID 122476548
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
2-[(E)-pent-1-enyl]-1-benzothiophene
CID 56648426
N-[3-[5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophen-2-yl]propyl]-N-methylhydroxylamine
CID 14696269
ethyl 5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophene-2-carboxylate
CID 14696267
4-(1-benzothiophen-2-yl)-N-methylbut-3-en-1-amine
CID 170495877

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene?
The IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene (CID 14696263) is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene?
The canonical SMILES for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene is Brc1ccc(/C=C/c2cc3ccccc3s2)s1.
What is the InChIKey of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene?
The InChIKey is UQOXQHUTWONJCD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9BrS2/c15-14-8-7-11(17-14)5-6-12-9-10-3-1-2-4-13(10)16-12/h1-9H/b6-5+.
What are the key properties of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene?
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene has a molecular weight of 321.26 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 14696263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).