O-(4-fluorophenyl) chloromethanethioate

C7H4ClFOS — CID 5045332

IUPACO-(4-fluorophenyl) chloromethanethioate
SMILESFc1ccc(OC(=S)Cl)cc1
InChIInChI=1S/C7H4ClFOS/c8-7(11)10-6-3-1-5(9)2-4-6/h1-4H
InChIKeyHZBXSUFBKXPOAF-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.73
Rot. Bonds1

About O-(4-fluorophenyl) chloromethanethioate

O-(4-fluorophenyl) chloromethanethioate (PubChem CID 5045332) has the molecular formula C7H4ClFOS and a molecular weight of 190.63 g/mol. Its IUPAC name is O-(4-fluorophenyl) chloromethanethioate.

Molecular Properties

Compound NameO-(4-fluorophenyl) chloromethanethioate
PubChem CID5045332
Molecular FormulaC7H4ClFOS
Molecular Weight190.63 g/mol
Exact Mass189.97
IUPAC NameO-(4-fluorophenyl) chloromethanethioate
SMILESFc1ccc(OC(=S)Cl)cc1
InChIInChI=1S/C7H4ClFOS/c8-7(11)10-6-3-1-5(9)2-4-6/h1-4H
InChIKeyHZBXSUFBKXPOAF-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(4-fluorophenyl) chloromethanethioate?
The IUPAC name of O-(4-fluorophenyl) chloromethanethioate (CID 5045332) is O-(4-fluorophenyl) chloromethanethioate.
What is the SMILES notation for O-(4-fluorophenyl) chloromethanethioate?
The canonical SMILES for O-(4-fluorophenyl) chloromethanethioate is Fc1ccc(OC(=S)Cl)cc1.
What is the InChIKey of O-(4-fluorophenyl) chloromethanethioate?
The InChIKey is HZBXSUFBKXPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFOS/c8-7(11)10-6-3-1-5(9)2-4-6/h1-4H.
What are the key properties of O-(4-fluorophenyl) chloromethanethioate?
O-(4-fluorophenyl) chloromethanethioate has a molecular weight of 190.63 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-fluorophenyl) chloromethanethioate is sourced from PubChem (CID 5045332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).