silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate

C9H7AgO3S — CID 135951807

IUPACsilver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate
SMILESO=C(O)/C([S-])=C/c1ccccc1O.[Ag+]
InChIInChI=1S/C9H8O3S.Ag/c10-7-4-2-1-3-6(7)5-8(13)9(11)12;/h1-5,10,13H,(H,11,12);/q;+1/p-1/b8-5-;
InChIKeyBCGUDAQNMOWEIZ-HGKIGUAWSA-M
MW303.09 g/mol
LogP1.36
Rot. Bonds2

About silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate

silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate (PubChem CID 135951807) has the molecular formula C9H7AgO3S and a molecular weight of 303.09 g/mol. Its IUPAC name is silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate.

Molecular Properties

Compound Namesilver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate
PubChem CID135951807
Molecular FormulaC9H7AgO3S
Molecular Weight303.09 g/mol
Exact Mass301.92
IUPAC Namesilver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate
SMILESO=C(O)/C([S-])=C/c1ccccc1O.[Ag+]
InChIInChI=1S/C9H8O3S.Ag/c10-7-4-2-1-3-6(7)5-8(13)9(11)12;/h1-5,10,13H,(H,11,12);/q;+1/p-1/b8-5-;
InChIKeyBCGUDAQNMOWEIZ-HGKIGUAWSA-M
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.09
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 170873745
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CID 5053670
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
CID 158421076
CID 158421076
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
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CID 18320961
2-(2,2-dibromoethenyl)phenol;ethane
CID 143581922
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine
CID 135951806
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409

Frequently Asked Questions

What is the IUPAC name of silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate?
The IUPAC name of silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate (CID 135951807) is silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate.
What is the SMILES notation for silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate?
The canonical SMILES for silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate is O=C(O)/C([S-])=C/c1ccccc1O.[Ag+].
What is the InChIKey of silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate?
The InChIKey is BCGUDAQNMOWEIZ-HGKIGUAWSA-M. The full InChI is InChI=1S/C9H8O3S.Ag/c10-7-4-2-1-3-6(7)5-8(13)9(11)12;/h1-5,10,13H,(H,11,12);/q;+1/p-1/b8-5-;.
What are the key properties of silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate?
silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate has a molecular weight of 303.09 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver (Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate is sourced from PubChem (CID 135951807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).