1-(2-bromophenyl)-2-cyclopentylsulfanylethanone

C13H15BrOS — CID 2381340

IUPAC1-(2-bromophenyl)-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H15BrOS/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyFVLUXJIUMVJVFJ-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone

1-(2-bromophenyl)-2-cyclopentylsulfanylethanone (PubChem CID 2381340) has the molecular formula C13H15BrOS and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-cyclopentylsulfanylethanone
PubChem CID2381340
Molecular FormulaC13H15BrOS
Molecular Weight299.23 g/mol
Exact Mass298.00
IUPAC Name1-(2-bromophenyl)-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H15BrOS/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyFVLUXJIUMVJVFJ-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone (CID 2381340) is 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone is O=C(CSC1CCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone?
The InChIKey is FVLUXJIUMVJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrOS/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone?
1-(2-bromophenyl)-2-cyclopentylsulfanylethanone has a molecular weight of 299.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-cyclopentylsulfanylethanone is sourced from PubChem (CID 2381340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).