ethane;methanethiol;yttrium(3+)

C5H13SY — CID 59987154

IUPACethane;methanethiol;yttrium(3+)
SMILES[CH2-]C.[CH2-]C.[CH2-]S.[Y+3]
InChIInChI=1S/2C2H5.CH3S.Y/c3*1-2;/h2*1H2,2H3;2H,1H2;/q3*-1;+3
InChIKeyUYFWYSYSTDORPX-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.39
Rot. Bonds

About ethane;methanethiol;yttrium(3+)

ethane;methanethiol;yttrium(3+) (PubChem CID 59987154) has the molecular formula C5H13SY and a molecular weight of 194.13 g/mol. Its IUPAC name is ethane;methanethiol;yttrium(3+).

Molecular Properties

Compound Nameethane;methanethiol;yttrium(3+)
PubChem CID59987154
Molecular FormulaC5H13SY
Molecular Weight194.13 g/mol
Exact Mass193.98
IUPAC Nameethane;methanethiol;yttrium(3+)
SMILES[CH2-]C.[CH2-]C.[CH2-]S.[Y+3]
InChIInChI=1S/2C2H5.CH3S.Y/c3*1-2;/h2*1H2,2H3;2H,1H2;/q3*-1;+3
InChIKeyUYFWYSYSTDORPX-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;yttrium(3+)?
The IUPAC name of ethane;methanethiol;yttrium(3+) (CID 59987154) is ethane;methanethiol;yttrium(3+).
What is the SMILES notation for ethane;methanethiol;yttrium(3+)?
The canonical SMILES for ethane;methanethiol;yttrium(3+) is [CH2-]C.[CH2-]C.[CH2-]S.[Y+3].
What is the InChIKey of ethane;methanethiol;yttrium(3+)?
The InChIKey is UYFWYSYSTDORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.CH3S.Y/c3*1-2;/h2*1H2,2H3;2H,1H2;/q3*-1;+3.
What are the key properties of ethane;methanethiol;yttrium(3+)?
ethane;methanethiol;yttrium(3+) has a molecular weight of 194.13 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;yttrium(3+) is sourced from PubChem (CID 59987154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).