methyl ethanedithioate;yttrium

C3H5S2Y- — CID 58035958

IUPACmethyl ethanedithioate;yttrium
SMILES[CH2-]C(=S)SC.[Y]
InChIInChI=1S/C3H5S2.Y/c1-3(4)5-2;/h1H2,2H3;/q-1;
InChIKeyJOBODSNZDBQCDR-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.51
Rot. Bonds

About methyl ethanedithioate;yttrium

methyl ethanedithioate;yttrium (PubChem CID 58035958) has the molecular formula C3H5S2Y- and a molecular weight of 194.11 g/mol. Its IUPAC name is methyl ethanedithioate;yttrium.

Molecular Properties

Compound Namemethyl ethanedithioate;yttrium
PubChem CID58035958
Molecular FormulaC3H5S2Y-
Molecular Weight194.11 g/mol
Exact Mass193.89
IUPAC Namemethyl ethanedithioate;yttrium
SMILES[CH2-]C(=S)SC.[Y]
InChIInChI=1S/C3H5S2.Y/c1-3(4)5-2;/h1H2,2H3;/q-1;
InChIKeyJOBODSNZDBQCDR-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl ethanedithioate;yttrium?
The IUPAC name of methyl ethanedithioate;yttrium (CID 58035958) is methyl ethanedithioate;yttrium.
What is the SMILES notation for methyl ethanedithioate;yttrium?
The canonical SMILES for methyl ethanedithioate;yttrium is [CH2-]C(=S)SC.[Y].
What is the InChIKey of methyl ethanedithioate;yttrium?
The InChIKey is JOBODSNZDBQCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5S2.Y/c1-3(4)5-2;/h1H2,2H3;/q-1;.
What are the key properties of methyl ethanedithioate;yttrium?
methyl ethanedithioate;yttrium has a molecular weight of 194.11 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl ethanedithioate;yttrium is sourced from PubChem (CID 58035958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).