ethoxymethanedithioic acid

C3H6OS2 — CID 8823

IUPACethoxymethanedithioic acid
SMILESCCOC(=S)S
InChIInChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)
InChIKeyZOOODBUHSVUZEM-UHFFFAOYSA-N
MW122.21 g/mol
LogP1.24
Rot. Bonds1

About ethoxymethanedithioic acid

ethoxymethanedithioic acid (PubChem CID 8823) has the molecular formula C3H6OS2 and a molecular weight of 122.21 g/mol. Its IUPAC name is ethoxymethanedithioic acid.

Molecular Properties

Compound Nameethoxymethanedithioic acid
PubChem CID8823
Molecular FormulaC3H6OS2
Molecular Weight122.21 g/mol
Exact Mass121.99
IUPAC Nameethoxymethanedithioic acid
SMILESCCOC(=S)S
InChIInChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)
InChIKeyZOOODBUHSVUZEM-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 51.24
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(ethoxymethanedithioic acid);sulfane
CID 88801631
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
ethoxymethanedithioic acid;nickel
CID 54611890
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
CID 162340121
CID 162340121
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
ethoxymethanedithioic acid;hexadecane;zinc
CID 87550227
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87182344
dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
calcium;butoxymethanedithioic acid;hydride
CID 173442028

Frequently Asked Questions

What is the IUPAC name of ethoxymethanedithioic acid?
The IUPAC name of ethoxymethanedithioic acid (CID 8823) is ethoxymethanedithioic acid.
What is the SMILES notation for ethoxymethanedithioic acid?
The canonical SMILES for ethoxymethanedithioic acid is CCOC(=S)S.
What is the InChIKey of ethoxymethanedithioic acid?
The InChIKey is ZOOODBUHSVUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6).
What are the key properties of ethoxymethanedithioic acid?
ethoxymethanedithioic acid has a molecular weight of 122.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanedithioic acid is sourced from PubChem (CID 8823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).