acetyloxymethoxymethanedithioic acid

C4H6O3S2 — CID 175203705

IUPACacetyloxymethoxymethanedithioic acid
SMILESCC(=O)OCOC(=S)S
InChIInChI=1S/C4H6O3S2/c1-3(5)6-2-7-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyQSMHAFYVPVYMKX-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.74
Rot. Bonds2

About acetyloxymethoxymethanedithioic acid

acetyloxymethoxymethanedithioic acid (PubChem CID 175203705) has the molecular formula C4H6O3S2 and a molecular weight of 166.22 g/mol. Its IUPAC name is acetyloxymethoxymethanedithioic acid.

Molecular Properties

Compound Nameacetyloxymethoxymethanedithioic acid
PubChem CID175203705
Molecular FormulaC4H6O3S2
Molecular Weight166.22 g/mol
Exact Mass165.98
IUPAC Nameacetyloxymethoxymethanedithioic acid
SMILESCC(=O)OCOC(=S)S
InChIInChI=1S/C4H6O3S2/c1-3(5)6-2-7-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyQSMHAFYVPVYMKX-UHFFFAOYSA-N
XLogP0.74
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 acetyloxymethoxymethanedithioic acid?
The IUPAC name of acetyloxymethoxymethanedithioic acid (CID 175203705) is acetyloxymethoxymethanedithioic acid.
What is the SMILES notation for acetyloxymethoxymethanedithioic acid?
The canonical SMILES for acetyloxymethoxymethanedithioic acid is CC(=O)OCOC(=S)S.
What is the InChIKey of acetyloxymethoxymethanedithioic acid?
The InChIKey is QSMHAFYVPVYMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S2/c1-3(5)6-2-7-4(8)9/h2H2,1H3,(H,8,9).
What are the key properties of acetyloxymethoxymethanedithioic acid?
acetyloxymethoxymethanedithioic acid has a molecular weight of 166.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethoxymethanedithioic acid is sourced from PubChem (CID 175203705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).