sodium;ethoxymethanedithioic acid;hydride

C3H7NaOS2 — CID 173025447

IUPACsodium;ethoxymethanedithioic acid;hydride
SMILESCCOC(=S)S.[H-].[Na+]
InChIInChI=1S/C3H6OS2.Na.H/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;/q;+1;-1
InChIKeyMCEKSTOZEWZDAF-UHFFFAOYSA-N
MW146.21 g/mol
LogP-1.65
Rot. Bonds1

About sodium;ethoxymethanedithioic acid;hydride

sodium;ethoxymethanedithioic acid;hydride (PubChem CID 173025447) has the molecular formula C3H7NaOS2 and a molecular weight of 146.21 g/mol. Its IUPAC name is sodium;ethoxymethanedithioic acid;hydride.

Molecular Properties

Compound Namesodium;ethoxymethanedithioic acid;hydride
PubChem CID173025447
Molecular FormulaC3H7NaOS2
Molecular Weight146.21 g/mol
Exact Mass145.98
IUPAC Namesodium;ethoxymethanedithioic acid;hydride
SMILESCCOC(=S)S.[H-].[Na+]
InChIInChI=1S/C3H6OS2.Na.H/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;/q;+1;-1
InChIKeyMCEKSTOZEWZDAF-UHFFFAOYSA-N
XLogP-1.65
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-1.65
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

ethoxymethanedithioic acid
CID 8823
ethoxymethanedithioic acid;nickel
CID 54611890
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
CID 162340121
CID 162340121
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
ethoxymethanedithioic acid;hexadecane;zinc
CID 87550227
sodium;dodecoxymethanedithioic acid;hydride
CID 173370356
calcium;butoxymethanedithioic acid;hydride
CID 173442028
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87182344

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxymethanedithioic acid;hydride?
The IUPAC name of sodium;ethoxymethanedithioic acid;hydride (CID 173025447) is sodium;ethoxymethanedithioic acid;hydride.
What is the SMILES notation for sodium;ethoxymethanedithioic acid;hydride?
The canonical SMILES for sodium;ethoxymethanedithioic acid;hydride is CCOC(=S)S.[H-].[Na+].
What is the InChIKey of sodium;ethoxymethanedithioic acid;hydride?
The InChIKey is MCEKSTOZEWZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2.Na.H/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;ethoxymethanedithioic acid;hydride?
sodium;ethoxymethanedithioic acid;hydride has a molecular weight of 146.21 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxymethanedithioic acid;hydride is sourced from PubChem (CID 173025447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).