(4-fluorophenoxy)methanedithioic acid

C7H5FOS2 — CID 102186802

IUPAC(4-fluorophenoxy)methanedithioic acid
SMILESFc1ccc(OC(=S)S)cc1
InChIInChI=1S/C7H5FOS2/c8-5-1-3-6(4-2-5)9-7(10)11/h1-4H,(H,10,11)
InChIKeyQAHUQSZBHXCGSP-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.42
Rot. Bonds1

About (4-fluorophenoxy)methanedithioic acid

(4-fluorophenoxy)methanedithioic acid (PubChem CID 102186802) has the molecular formula C7H5FOS2 and a molecular weight of 188.25 g/mol. Its IUPAC name is (4-fluorophenoxy)methanedithioic acid.

Molecular Properties

Compound Name(4-fluorophenoxy)methanedithioic acid
PubChem CID102186802
Molecular FormulaC7H5FOS2
Molecular Weight188.25 g/mol
Exact Mass187.98
IUPAC Name(4-fluorophenoxy)methanedithioic acid
SMILESFc1ccc(OC(=S)S)cc1
InChIInChI=1S/C7H5FOS2/c8-5-1-3-6(4-2-5)9-7(10)11/h1-4H,(H,10,11)
InChIKeyQAHUQSZBHXCGSP-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
[4-(4-fluorophenoxy)carbothioylphenyl] acetate
CID 57307652
(4-fluorophenyl) phenyl carbonate
CID 555788
(2-hydroxyphenoxy)methanedithioic acid
CID 175191562
O-(4-fluorophenyl) N-[4-(aminomethyl)phenyl]-N-(4-fluorophenoxy)carbothioylcarbamothioate
CID 86296237
(4-fluorophenyl) hypobromite
CID 19745276
CID 139244267
CID 139244267
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane
CID 170529154
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
CID 70650926

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenoxy)methanedithioic acid?
The IUPAC name of (4-fluorophenoxy)methanedithioic acid (CID 102186802) is (4-fluorophenoxy)methanedithioic acid.
What is the SMILES notation for (4-fluorophenoxy)methanedithioic acid?
The canonical SMILES for (4-fluorophenoxy)methanedithioic acid is Fc1ccc(OC(=S)S)cc1.
What is the InChIKey of (4-fluorophenoxy)methanedithioic acid?
The InChIKey is QAHUQSZBHXCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FOS2/c8-5-1-3-6(4-2-5)9-7(10)11/h1-4H,(H,10,11).
What are the key properties of (4-fluorophenoxy)methanedithioic acid?
(4-fluorophenoxy)methanedithioic acid has a molecular weight of 188.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenoxy)methanedithioic acid is sourced from PubChem (CID 102186802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).