1-(4-fluorophenyl)-2-methylsulfanylethanone

C9H9FOS — CID 10487733

IUPAC1-(4-fluorophenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FOS/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyIGJXOTHWXOXPNI-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methylsulfanylethanone

1-(4-fluorophenyl)-2-methylsulfanylethanone (PubChem CID 10487733) has the molecular formula C9H9FOS and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methylsulfanylethanone
PubChem CID10487733
Molecular FormulaC9H9FOS
Molecular Weight184.23 g/mol
Exact Mass184.04
IUPAC Name1-(4-fluorophenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FOS/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyIGJXOTHWXOXPNI-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-methylsulfanylethanone (CID 10487733) is 1-(4-fluorophenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-methylsulfanylethanone is CSCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methylsulfanylethanone?
The InChIKey is IGJXOTHWXOXPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FOS/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-methylsulfanylethanone?
1-(4-fluorophenyl)-2-methylsulfanylethanone has a molecular weight of 184.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 10487733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).