tetrakis(ethoxymethanedithioic acid);sulfane

C12H28O4S10 — CID 173034920

IUPACtetrakis(ethoxymethanedithioic acid);sulfane
SMILESCCOC(=S)S.CCOC(=S)S.CCOC(=S)S.CCOC(=S)S.S.S
InChIInChI=1S/4C3H6OS2.2H2S/c4*1-2-4-3(5)6;;/h4*2H2,1H3,(H,5,6);2*1H2
InChIKeyGOGRHOPYJWKHQO-UHFFFAOYSA-N
MW557.02 g/mol
LogP5.18
Rot. Bonds4

About tetrakis(ethoxymethanedithioic acid);sulfane

tetrakis(ethoxymethanedithioic acid);sulfane (PubChem CID 173034920) has the molecular formula C12H28O4S10 and a molecular weight of 557.02 g/mol. Its IUPAC name is tetrakis(ethoxymethanedithioic acid);sulfane.

Molecular Properties

Compound Nametetrakis(ethoxymethanedithioic acid);sulfane
PubChem CID173034920
Molecular FormulaC12H28O4S10
Molecular Weight557.02 g/mol
Exact Mass555.92
IUPAC Nametetrakis(ethoxymethanedithioic acid);sulfane
SMILESCCOC(=S)S.CCOC(=S)S.CCOC(=S)S.CCOC(=S)S.S.S
InChIInChI=1S/4C3H6OS2.2H2S/c4*1-2-4-3(5)6;;/h4*2H2,1H3,(H,5,6);2*1H2
InChIKeyGOGRHOPYJWKHQO-UHFFFAOYSA-N
XLogP5.18
TPSA36.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
ethoxymethanedithioic acid
CID 8823
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 tetrakis(ethoxymethanedithioic acid);sulfane?
The IUPAC name of tetrakis(ethoxymethanedithioic acid);sulfane (CID 173034920) is tetrakis(ethoxymethanedithioic acid);sulfane.
What is the SMILES notation for tetrakis(ethoxymethanedithioic acid);sulfane?
The canonical SMILES for tetrakis(ethoxymethanedithioic acid);sulfane is CCOC(=S)S.CCOC(=S)S.CCOC(=S)S.CCOC(=S)S.S.S.
What is the InChIKey of tetrakis(ethoxymethanedithioic acid);sulfane?
The InChIKey is GOGRHOPYJWKHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H6OS2.2H2S/c4*1-2-4-3(5)6;;/h4*2H2,1H3,(H,5,6);2*1H2.
What are the key properties of tetrakis(ethoxymethanedithioic acid);sulfane?
tetrakis(ethoxymethanedithioic acid);sulfane has a molecular weight of 557.02 g/mol, XLogP of 5.18, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(ethoxymethanedithioic acid);sulfane is sourced from PubChem (CID 173034920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).