1-(4-fluorophenyl)-2-hydroxysulfanylethanone

C8H7FO2S — CID 142999162

IUPAC1-(4-fluorophenyl)-2-hydroxysulfanylethanone
SMILESO=C(CSO)c1ccc(F)cc1
InChIInChI=1S/C8H7FO2S/c9-7-3-1-6(2-4-7)8(10)5-12-11/h1-4,11H,5H2
InChIKeyCKRWWSXLPOXQRB-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.21
Rot. Bonds3

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

1-(4-fluorophenyl)-2-hydroxysulfanylethanone (PubChem CID 142999162) has the molecular formula C8H7FO2S and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-hydroxysulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-hydroxysulfanylethanone
PubChem CID142999162
Molecular FormulaC8H7FO2S
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name1-(4-fluorophenyl)-2-hydroxysulfanylethanone
SMILESO=C(CSO)c1ccc(F)cc1
InChIInChI=1S/C8H7FO2S/c9-7-3-1-6(2-4-7)8(10)5-12-11/h1-4,11H,5H2
InChIKeyCKRWWSXLPOXQRB-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
CID 10584638
1-(4-fluorophenyl)-2-[(2S,3R)-4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2,3-dihydroxybutyl]sulfanylethanone
CID 42590953
1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801623
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
1-(4-fluorophenyl)-2-nitrosoethanone
CID 57125570
triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
CID 19862916
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-hydroxysulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-hydroxysulfanylethanone (CID 142999162) is 1-(4-fluorophenyl)-2-hydroxysulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-hydroxysulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-hydroxysulfanylethanone is O=C(CSO)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-hydroxysulfanylethanone?
The InChIKey is CKRWWSXLPOXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2S/c9-7-3-1-6(2-4-7)8(10)5-12-11/h1-4,11H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-hydroxysulfanylethanone?
1-(4-fluorophenyl)-2-hydroxysulfanylethanone has a molecular weight of 186.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-hydroxysulfanylethanone is sourced from PubChem (CID 142999162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).