bis(ethoxymethanedithioic acid);sulfane

C6H14O2S5 — CID 88801631

IUPACbis(ethoxymethanedithioic acid);sulfane
SMILESCCOC(=S)S.CCOC(=S)S.S
InChIInChI=1S/2C3H6OS2.H2S/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);1H2
InChIKeyWKOSYSMIAPUZTG-UHFFFAOYSA-N
MW278.51 g/mol
LogP2.59
Rot. Bonds2

About bis(ethoxymethanedithioic acid);sulfane

bis(ethoxymethanedithioic acid);sulfane (PubChem CID 88801631) has the molecular formula C6H14O2S5 and a molecular weight of 278.51 g/mol. Its IUPAC name is bis(ethoxymethanedithioic acid);sulfane.

Molecular Properties

Compound Namebis(ethoxymethanedithioic acid);sulfane
PubChem CID88801631
Molecular FormulaC6H14O2S5
Molecular Weight278.51 g/mol
Exact Mass277.96
IUPAC Namebis(ethoxymethanedithioic acid);sulfane
SMILESCCOC(=S)S.CCOC(=S)S.S
InChIInChI=1S/2C3H6OS2.H2S/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);1H2
InChIKeyWKOSYSMIAPUZTG-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

tetrakis(ethoxymethanedithioic acid);sulfane
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ethoxymethanedithioic acid
CID 8823
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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
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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 bis(ethoxymethanedithioic acid);sulfane?
The IUPAC name of bis(ethoxymethanedithioic acid);sulfane (CID 88801631) is bis(ethoxymethanedithioic acid);sulfane.
What is the SMILES notation for bis(ethoxymethanedithioic acid);sulfane?
The canonical SMILES for bis(ethoxymethanedithioic acid);sulfane is CCOC(=S)S.CCOC(=S)S.S.
What is the InChIKey of bis(ethoxymethanedithioic acid);sulfane?
The InChIKey is WKOSYSMIAPUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6OS2.H2S/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);1H2.
What are the key properties of bis(ethoxymethanedithioic acid);sulfane?
bis(ethoxymethanedithioic acid);sulfane has a molecular weight of 278.51 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxymethanedithioic acid);sulfane is sourced from PubChem (CID 88801631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).