ethane;ethanethiolate;yttrium

C4H10SY-2 — CID 59979090

IUPACethane;ethanethiolate;yttrium
SMILESCC[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H6S.C2H5.Y/c1-2-3;1-2;/h3H,2H2,1H3;1H2,2H3;/q;-1;/p-1
InChIKeyZFVFZBIQSOCRSO-UHFFFAOYSA-M
MW179.10 g/mol
LogP1.39
Rot. Bonds

About ethane;ethanethiolate;yttrium

ethane;ethanethiolate;yttrium (PubChem CID 59979090) has the molecular formula C4H10SY-2 and a molecular weight of 179.10 g/mol. Its IUPAC name is ethane;ethanethiolate;yttrium.

Molecular Properties

Compound Nameethane;ethanethiolate;yttrium
PubChem CID59979090
Molecular FormulaC4H10SY-2
Molecular Weight179.10 g/mol
Exact Mass178.96
IUPAC Nameethane;ethanethiolate;yttrium
SMILESCC[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H6S.C2H5.Y/c1-2-3;1-2;/h3H,2H2,1H3;1H2,2H3;/q;-1;/p-1
InChIKeyZFVFZBIQSOCRSO-UHFFFAOYSA-M
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanethiolate;yttrium?
The IUPAC name of ethane;ethanethiolate;yttrium (CID 59979090) is ethane;ethanethiolate;yttrium.
What is the SMILES notation for ethane;ethanethiolate;yttrium?
The canonical SMILES for ethane;ethanethiolate;yttrium is CC[S-].[CH2-]C.[Y].
What is the InChIKey of ethane;ethanethiolate;yttrium?
The InChIKey is ZFVFZBIQSOCRSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6S.C2H5.Y/c1-2-3;1-2;/h3H,2H2,1H3;1H2,2H3;/q;-1;/p-1.
What are the key properties of ethane;ethanethiolate;yttrium?
ethane;ethanethiolate;yttrium has a molecular weight of 179.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanethiolate;yttrium is sourced from PubChem (CID 59979090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).