5-fluoro-2-sulfanylbenzoyl chloride

C7H4ClFOS — CID 141364500

IUPAC5-fluoro-2-sulfanylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1S
InChIInChI=1S/C7H4ClFOS/c8-7(10)5-3-4(9)1-2-6(5)11/h1-3,11H
InChIKeyOWGIXOORUOKHFU-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.49
Rot. Bonds1

About 5-fluoro-2-sulfanylbenzoyl chloride

5-fluoro-2-sulfanylbenzoyl chloride (PubChem CID 141364500) has the molecular formula C7H4ClFOS and a molecular weight of 190.63 g/mol. Its IUPAC name is 5-fluoro-2-sulfanylbenzoyl chloride.

Molecular Properties

Compound Name5-fluoro-2-sulfanylbenzoyl chloride
PubChem CID141364500
Molecular FormulaC7H4ClFOS
Molecular Weight190.63 g/mol
Exact Mass189.97
IUPAC Name5-fluoro-2-sulfanylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1S
InChIInChI=1S/C7H4ClFOS/c8-7(10)5-3-4(9)1-2-6(5)11/h1-3,11H
InChIKeyOWGIXOORUOKHFU-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite
CID 91620635
N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
CID 70678515
tert-butyl 5-fluoro-2-sulfanylbenzoate
CID 129078912
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
4-fluorophthalate
CID 36688510
5-chloro-2-fluorobenzoyl chloride
CID 2773604
4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
CID 54468098

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-sulfanylbenzoyl chloride?
The IUPAC name of 5-fluoro-2-sulfanylbenzoyl chloride (CID 141364500) is 5-fluoro-2-sulfanylbenzoyl chloride.
What is the SMILES notation for 5-fluoro-2-sulfanylbenzoyl chloride?
The canonical SMILES for 5-fluoro-2-sulfanylbenzoyl chloride is O=C(Cl)c1cc(F)ccc1S.
What is the InChIKey of 5-fluoro-2-sulfanylbenzoyl chloride?
The InChIKey is OWGIXOORUOKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFOS/c8-7(10)5-3-4(9)1-2-6(5)11/h1-3,11H.
What are the key properties of 5-fluoro-2-sulfanylbenzoyl chloride?
5-fluoro-2-sulfanylbenzoyl chloride has a molecular weight of 190.63 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-sulfanylbenzoyl chloride is sourced from PubChem (CID 141364500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).