2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone

C10H7BrOS2 — CID 62622434

IUPAC2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1sccc1Br)c1ccsc1
InChIInChI=1S/C10H7BrOS2/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h1-4,6H,5H2
InChIKeyFYQWRKMEZGTODS-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone

2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone (PubChem CID 62622434) has the molecular formula C10H7BrOS2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
PubChem CID62622434
Molecular FormulaC10H7BrOS2
Molecular Weight287.20 g/mol
Exact Mass285.91
IUPAC Name2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1sccc1Br)c1ccsc1
InChIInChI=1S/C10H7BrOS2/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h1-4,6H,5H2
InChIKeyFYQWRKMEZGTODS-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone (CID 62622434) is 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone is O=C(Cc1sccc1Br)c1ccsc1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone?
The InChIKey is FYQWRKMEZGTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrOS2/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h1-4,6H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone?
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone has a molecular weight of 287.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone is sourced from PubChem (CID 62622434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).