silver 3-amino-3-oxoprop-1-ene-1-thiolate

C3H4AgNOS — CID 173393253

IUPACsilver 3-amino-3-oxoprop-1-ene-1-thiolate
SMILESNC(=O)C=C[S-].[Ag+]
InChIInChI=1S/C3H5NOS.Ag/c4-3(5)1-2-6;/h1-2,6H,(H2,4,5);/q;+1/p-1
InChIKeyXXVJPGCGWHBPDV-UHFFFAOYSA-M
MW210.01 g/mol
LogP-0.47
Rot. Bonds1

About silver 3-amino-3-oxoprop-1-ene-1-thiolate

silver 3-amino-3-oxoprop-1-ene-1-thiolate (PubChem CID 173393253) has the molecular formula C3H4AgNOS and a molecular weight of 210.01 g/mol. Its IUPAC name is silver 3-amino-3-oxoprop-1-ene-1-thiolate.

Molecular Properties

Compound Namesilver 3-amino-3-oxoprop-1-ene-1-thiolate
PubChem CID173393253
Molecular FormulaC3H4AgNOS
Molecular Weight210.01 g/mol
Exact Mass208.91
IUPAC Namesilver 3-amino-3-oxoprop-1-ene-1-thiolate
SMILESNC(=O)C=C[S-].[Ag+]
InChIInChI=1S/C3H5NOS.Ag/c4-3(5)1-2-6;/h1-2,6H,(H2,4,5);/q;+1/p-1
InChIKeyXXVJPGCGWHBPDV-UHFFFAOYSA-M
XLogP-0.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silver 3-amino-3-oxoprop-1-ene-1-thiolate?
The IUPAC name of silver 3-amino-3-oxoprop-1-ene-1-thiolate (CID 173393253) is silver 3-amino-3-oxoprop-1-ene-1-thiolate.
What is the SMILES notation for silver 3-amino-3-oxoprop-1-ene-1-thiolate?
The canonical SMILES for silver 3-amino-3-oxoprop-1-ene-1-thiolate is NC(=O)C=C[S-].[Ag+].
What is the InChIKey of silver 3-amino-3-oxoprop-1-ene-1-thiolate?
The InChIKey is XXVJPGCGWHBPDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NOS.Ag/c4-3(5)1-2-6;/h1-2,6H,(H2,4,5);/q;+1/p-1.
What are the key properties of silver 3-amino-3-oxoprop-1-ene-1-thiolate?
silver 3-amino-3-oxoprop-1-ene-1-thiolate has a molecular weight of 210.01 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-amino-3-oxoprop-1-ene-1-thiolate is sourced from PubChem (CID 173393253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).