ethanethioic S-acid;gadolinium

C2H4GdOS — CID 159325834

IUPACethanethioic S-acid;gadolinium
SMILESCC(=O)S.[Gd]
InChIInChI=1S/C2H4OS.Gd/c1-2(3)4;/h1H3,(H,3,4);
InChIKeyLEIVMEZPNKHSBM-UHFFFAOYSA-N
MW233.37 g/mol
LogP0.46
Rot. Bonds

About ethanethioic S-acid;gadolinium

ethanethioic S-acid;gadolinium (PubChem CID 159325834) has the molecular formula C2H4GdOS and a molecular weight of 233.37 g/mol. Its IUPAC name is ethanethioic S-acid;gadolinium.

Molecular Properties

Compound Nameethanethioic S-acid;gadolinium
PubChem CID159325834
Molecular FormulaC2H4GdOS
Molecular Weight233.37 g/mol
Exact Mass233.92
IUPAC Nameethanethioic S-acid;gadolinium
SMILESCC(=O)S.[Gd]
InChIInChI=1S/C2H4OS.Gd/c1-2(3)4;/h1H3,(H,3,4);
InChIKeyLEIVMEZPNKHSBM-UHFFFAOYSA-N
XLogP0.46
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethanethioic S-acid;gadolinium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;ethanethioic S-acid;hydride;sulfane
CID 174895169
ethanethioic S-acid;methane;methanol;S-methyl ethanethioate
CID 159638519
ethanethioic S-acid;2-hydroxyethanethioic S-acid
CID 88655579
ethanethioic S-acid;prop-1-ene
CID 174856563
methanol;propan-2-one;hydrate
CID 86590524
methanol;propan-2-one;dihydrate
CID 158013024
acetic acid;methanol
CID 173388753
acetamide;carbamothioic S-acid
CID 160740835
ethanedithioic acid;ethanethioic S-acid;methane;prop-1-ene-2-thiol
CID 161031855
acetic acid;methanol;titanium
CID 87908067
acetic acid;gadolinium;hexahydrate
CID 174991979
potassium;methanol;acetate
CID 87290228

Frequently Asked Questions

What is the IUPAC name of ethanethioic S-acid;gadolinium?
The IUPAC name of ethanethioic S-acid;gadolinium (CID 159325834) is ethanethioic S-acid;gadolinium.
What is the SMILES notation for ethanethioic S-acid;gadolinium?
The canonical SMILES for ethanethioic S-acid;gadolinium is CC(=O)S.[Gd].
What is the InChIKey of ethanethioic S-acid;gadolinium?
The InChIKey is LEIVMEZPNKHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4OS.Gd/c1-2(3)4;/h1H3,(H,3,4);.
What are the key properties of ethanethioic S-acid;gadolinium?
ethanethioic S-acid;gadolinium has a molecular weight of 233.37 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioic S-acid;gadolinium is sourced from PubChem (CID 159325834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).