silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine

C15H22AgNO3S — CID 135951806

IUPACsilver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=C(O)/C([S-])=C/c1ccc(O)cc1.[Ag+]
InChIInChI=1S/C9H8O3S.C6H15N.Ag/c10-7-3-1-6(2-4-7)5-8(13)9(11)12;1-5(2)7-6(3)4;/h1-5,10,13H,(H,11,12);5-7H,1-4H3;/q;;+1/p-1/b8-5-;;
InChIKeyYPPWWZSMZBRGCC-XTKZWJJBSA-M
MW404.28 g/mol
LogP2.75
Rot. Bonds4

About silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine

silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine (PubChem CID 135951806) has the molecular formula C15H22AgNO3S and a molecular weight of 404.28 g/mol. Its IUPAC name is silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namesilver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine
PubChem CID135951806
Molecular FormulaC15H22AgNO3S
Molecular Weight404.28 g/mol
Exact Mass403.04
IUPAC Namesilver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=C(O)/C([S-])=C/c1ccc(O)cc1.[Ag+]
InChIInChI=1S/C9H8O3S.C6H15N.Ag/c10-7-3-1-6(2-4-7)5-8(13)9(11)12;1-5(2)7-6(3)4;/h1-5,10,13H,(H,11,12);5-7H,1-4H3;/q;;+1/p-1/b8-5-;;
InChIKeyYPPWWZSMZBRGCC-XTKZWJJBSA-M
XLogP2.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
2-[(4-hydroxyphenyl)methylidene]butanedioic acid
CID 139765873
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177588
2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177587
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
CID 118606325
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
acetic acid;4-hydroxybenzaldehyde
CID 86610069

Frequently Asked Questions

What is the IUPAC name of silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine?
The IUPAC name of silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine (CID 135951806) is silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine?
The canonical SMILES for silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.O=C(O)/C([S-])=C/c1ccc(O)cc1.[Ag+].
What is the InChIKey of silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine?
The InChIKey is YPPWWZSMZBRGCC-XTKZWJJBSA-M. The full InChI is InChI=1S/C9H8O3S.C6H15N.Ag/c10-7-3-1-6(2-4-7)5-8(13)9(11)12;1-5(2)7-6(3)4;/h1-5,10,13H,(H,11,12);5-7H,1-4H3;/q;;+1/p-1/b8-5-;;.
What are the key properties of silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine?
silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine has a molecular weight of 404.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver;(Z)-3-hydroxy-1-(4-hydroxyphenyl)-3-oxoprop-1-ene-2-thiolate;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 135951806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).