2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone

C10H7BrOS2 — CID 130133420

IUPAC2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESO=C(CBr)c1ccc(-c2cccs2)s1
InChIInChI=1S/C10H7BrOS2/c11-6-7(12)8-3-4-10(14-8)9-2-1-5-13-9/h1-5H,6H2
InChIKeyZRQWXYVHSLMUQB-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.05
Rot. Bonds3

About 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone

2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone (PubChem CID 130133420) has the molecular formula C10H7BrOS2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
PubChem CID130133420
Molecular FormulaC10H7BrOS2
Molecular Weight287.20 g/mol
Exact Mass285.91
IUPAC Name2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESO=C(CBr)c1ccc(-c2cccs2)s1
InChIInChI=1S/C10H7BrOS2/c11-6-7(12)8-3-4-10(14-8)9-2-1-5-13-9/h1-5H,6H2
InChIKeyZRQWXYVHSLMUQB-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone (CID 130133420) is 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone is O=C(CBr)c1ccc(-c2cccs2)s1.
What is the InChIKey of 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The InChIKey is ZRQWXYVHSLMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrOS2/c11-6-7(12)8-3-4-10(14-8)9-2-1-5-13-9/h1-5H,6H2.
What are the key properties of 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone has a molecular weight of 287.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 130133420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).