1-(4-bromophenyl)-2-ethylsulfanylethanone

C10H11BrOS — CID 43801944

IUPAC1-(4-bromophenyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrOS/c1-2-13-7-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyPGZOKBMCXDVQRZ-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-bromophenyl)-2-ethylsulfanylethanone

1-(4-bromophenyl)-2-ethylsulfanylethanone (PubChem CID 43801944) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-ethylsulfanylethanone
PubChem CID43801944
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name1-(4-bromophenyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrOS/c1-2-13-7-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyPGZOKBMCXDVQRZ-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-ethylsulfanylethanone (CID 43801944) is 1-(4-bromophenyl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-ethylsulfanylethanone is CCSCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-ethylsulfanylethanone?
The InChIKey is PGZOKBMCXDVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c1-2-13-7-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-ethylsulfanylethanone?
1-(4-bromophenyl)-2-ethylsulfanylethanone has a molecular weight of 259.17 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-ethylsulfanylethanone is sourced from PubChem (CID 43801944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).