antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate

C4H9O2S2Sb — CID 101332020

IUPACantimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate
SMILESOCC[S-].[O-]CC[S-].[Sb+3]
InChIInChI=1S/C2H6OS.C2H5OS.Sb/c2*3-1-2-4;/h3-4H,1-2H2;4H,1-2H2;/q;-1;+3/p-2
InChIKeyUXLPASPDTIQGLQ-UHFFFAOYSA-L
MW275.01 g/mol
LogP-1.96
Rot. Bonds2

About antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate

antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate (PubChem CID 101332020) has the molecular formula C4H9O2S2Sb and a molecular weight of 275.01 g/mol. Its IUPAC name is antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate.

Molecular Properties

Compound Nameantimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate
PubChem CID101332020
Molecular FormulaC4H9O2S2Sb
Molecular Weight275.01 g/mol
Exact Mass273.91
IUPAC Nameantimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate
SMILESOCC[S-].[O-]CC[S-].[Sb+3]
InChIInChI=1S/C2H6OS.C2H5OS.Sb/c2*3-1-2-4;/h3-4H,1-2H2;4H,1-2H2;/q;-1;+3/p-2
InChIKeyUXLPASPDTIQGLQ-UHFFFAOYSA-L
XLogP-1.96
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.01
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate?
The IUPAC name of antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate (CID 101332020) is antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate.
What is the SMILES notation for antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate?
The canonical SMILES for antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate is OCC[S-].[O-]CC[S-].[Sb+3].
What is the InChIKey of antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate?
The InChIKey is UXLPASPDTIQGLQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6OS.C2H5OS.Sb/c2*3-1-2-4;/h3-4H,1-2H2;4H,1-2H2;/q;-1;+3/p-2.
What are the key properties of antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate?
antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate has a molecular weight of 275.01 g/mol, XLogP of -1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);2-hydroxyethanethiolate;2-sulfidoethanolate is sourced from PubChem (CID 101332020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).