ethane;methanethiol;yttrium

C7H18SY-4 — CID 59114003

IUPACethane;methanethiol;yttrium
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]S.[Y]
InChIInChI=1S/3C2H5.CH3S.Y/c4*1-2;/h3*1H2,2H3;2H,1H2;/q4*-1;
InChIKeyQAJOUBVAXYUBTK-UHFFFAOYSA-N
MW223.19 g/mol
LogP3.23
Rot. Bonds

About ethane;methanethiol;yttrium

ethane;methanethiol;yttrium (PubChem CID 59114003) has the molecular formula C7H18SY-4 and a molecular weight of 223.19 g/mol. Its IUPAC name is ethane;methanethiol;yttrium.

Molecular Properties

Compound Nameethane;methanethiol;yttrium
PubChem CID59114003
Molecular FormulaC7H18SY-4
Molecular Weight223.19 g/mol
Exact Mass223.02
IUPAC Nameethane;methanethiol;yttrium
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]S.[Y]
InChIInChI=1S/3C2H5.CH3S.Y/c4*1-2;/h3*1H2,2H3;2H,1H2;/q4*-1;
InChIKeyQAJOUBVAXYUBTK-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 53.23
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?
The IUPAC name of ethane;methanethiol;yttrium (CID 59114003) is ethane;methanethiol;yttrium.
What is the SMILES notation for ethane;methanethiol;yttrium?
The canonical SMILES for ethane;methanethiol;yttrium is [CH2-]C.[CH2-]C.[CH2-]C.[CH2-]S.[Y].
What is the InChIKey of ethane;methanethiol;yttrium?
The InChIKey is QAJOUBVAXYUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5.CH3S.Y/c4*1-2;/h3*1H2,2H3;2H,1H2;/q4*-1;.
What are the key properties of ethane;methanethiol;yttrium?
ethane;methanethiol;yttrium has a molecular weight of 223.19 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;yttrium is sourced from PubChem (CID 59114003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).