silver 3,4,5-trihydroxythiobenzate

C7H5AgO4S — CID 158274527

IUPACsilver 3,4,5-trihydroxythiobenzate
SMILESO=C([S-])c1cc(O)c(O)c(O)c1.[Ag+]
InChIInChI=1S/C7H6O4S.Ag/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1
InChIKeyGJLGBLXZCIOXHQ-UHFFFAOYSA-M
MW293.05 g/mol
LogP0.49
Rot. Bonds1

About silver 3,4,5-trihydroxythiobenzate

silver 3,4,5-trihydroxythiobenzate (PubChem CID 158274527) has the molecular formula C7H5AgO4S and a molecular weight of 293.05 g/mol. Its IUPAC name is silver 3,4,5-trihydroxythiobenzate.

Molecular Properties

Compound Namesilver 3,4,5-trihydroxythiobenzate
PubChem CID158274527
Molecular FormulaC7H5AgO4S
Molecular Weight293.05 g/mol
Exact Mass291.90
IUPAC Namesilver 3,4,5-trihydroxythiobenzate
SMILESO=C([S-])c1cc(O)c(O)c(O)c1.[Ag+]
InChIInChI=1S/C7H6O4S.Ag/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1
InChIKeyGJLGBLXZCIOXHQ-UHFFFAOYSA-M
XLogP0.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.05
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

europium(2+);bis(3,4,5-trihydroxythiobenzate)
CID 136597984
3,4,5-trihydroxybenzoic acid
CID 370
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
CID 173368262
CID 173368262
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
bismuthane;copper;3,4,5-trihydroxybenzoic acid
CID 175210163
strontium;hydride;3,4,5-trihydroxybenzoic acid
CID 173029021
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823
(3,4,5-trihydroxybenzoyl)azanide;zinc
CID 172717842
strontium;hydride;lanthanum;3,4,5-trihydroxybenzoic acid
CID 173027938

Frequently Asked Questions

What is the IUPAC name of silver 3,4,5-trihydroxythiobenzate?
The IUPAC name of silver 3,4,5-trihydroxythiobenzate (CID 158274527) is silver 3,4,5-trihydroxythiobenzate.
What is the SMILES notation for silver 3,4,5-trihydroxythiobenzate?
The canonical SMILES for silver 3,4,5-trihydroxythiobenzate is O=C([S-])c1cc(O)c(O)c(O)c1.[Ag+].
What is the InChIKey of silver 3,4,5-trihydroxythiobenzate?
The InChIKey is GJLGBLXZCIOXHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4S.Ag/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1.
What are the key properties of silver 3,4,5-trihydroxythiobenzate?
silver 3,4,5-trihydroxythiobenzate has a molecular weight of 293.05 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3,4,5-trihydroxythiobenzate is sourced from PubChem (CID 158274527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).