(2-hydroxyphenoxy)methanedithioic acid

C7H6O2S2 — CID 175191562

IUPAC(2-hydroxyphenoxy)methanedithioic acid
SMILESOc1ccccc1OC(=S)S
InChIInChI=1S/C7H6O2S2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,8H,(H,10,11)
InChIKeyGMXSBNJHFWFXAR-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.99
Rot. Bonds1

About (2-hydroxyphenoxy)methanedithioic acid

(2-hydroxyphenoxy)methanedithioic acid (PubChem CID 175191562) has the molecular formula C7H6O2S2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (2-hydroxyphenoxy)methanedithioic acid.

Molecular Properties

Compound Name(2-hydroxyphenoxy)methanedithioic acid
PubChem CID175191562
Molecular FormulaC7H6O2S2
Molecular Weight186.26 g/mol
Exact Mass185.98
IUPAC Name(2-hydroxyphenoxy)methanedithioic acid
SMILESOc1ccccc1OC(=S)S
InChIInChI=1S/C7H6O2S2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,8H,(H,10,11)
InChIKeyGMXSBNJHFWFXAR-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenoxy)methanedithioic acid?
The IUPAC name of (2-hydroxyphenoxy)methanedithioic acid (CID 175191562) is (2-hydroxyphenoxy)methanedithioic acid.
What is the SMILES notation for (2-hydroxyphenoxy)methanedithioic acid?
The canonical SMILES for (2-hydroxyphenoxy)methanedithioic acid is Oc1ccccc1OC(=S)S.
What is the InChIKey of (2-hydroxyphenoxy)methanedithioic acid?
The InChIKey is GMXSBNJHFWFXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S2/c8-5-3-1-2-4-6(5)9-7(10)11/h1-4,8H,(H,10,11).
What are the key properties of (2-hydroxyphenoxy)methanedithioic acid?
(2-hydroxyphenoxy)methanedithioic acid has a molecular weight of 186.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenoxy)methanedithioic acid is sourced from PubChem (CID 175191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).