5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate

C35H55N2O14PdS4- — CID 160541112

About 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate

5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate (PubChem CID 160541112) has the molecular formula C35H55N2O14PdS4- and a molecular weight of 962.51 g/mol. Its IUPAC name is 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate.

Molecular Properties

• Compound Name: 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate
• PubChem CID: 160541112
• Molecular Formula: C35H55N2O14PdS4-
• Molecular Weight: 962.51 g/mol
• Exact Mass: 961.16
• IUPAC Name: 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate
• SMILES: C.C.C.CC(=O)c1ccc(C(=O)O)s1.COC(=O)c1ccc(C(C)=NO)s1.COC(=O)c1ccc(C(C)=O)s1.COC(=O)c1ccc(C(C)N)s1.O.O.O.[CH3-].[Pd]
• InChI: InChI=1S/C8H9NO3S.C8H11NO2S.C8H8O3S.C7H6O3S.3CH4.CH3.3H2O.Pd/c1-5(9-11)6-3-4-7(13-6)8(10)12-2;2*1-5(9)6-3-4-7(12-6)8(10)11-2;1-4(8)5-2-3-6(11-5)7(9)10;;;;;;;;/h3-4,11H,1-2H3;3-5H,9H2,1-2H3;3-4H,1-2H3;2-3H,1H3,(H,9,10);3*1H4;1H3;3*1H2;/q;;;;;;;-1
• InChIKey: DZUIENXWULAEQL-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 303.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.51
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate?

The IUPAC name of 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate (CID 160541112) is 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate.

What is the SMILES notation for 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate?

The canonical SMILES for 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate is C.C.C.CC(=O)c1ccc(C(=O)O)s1.COC(=O)c1ccc(C(C)=NO)s1.COC(=O)c1ccc(C(C)=O)s1.COC(=O)c1ccc(C(C)N)s1.O.O.O.[CH3-].[Pd].

What is the InChIKey of 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate?

The InChIKey is DZUIENXWULAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.C8H11NO2S.C8H8O3S.C7H6O3S.3CH4.CH3.3H2O.Pd/c1-5(9-11)6-3-4-7(13-6)8(10)12-2;2*1-5(9)6-3-4-7(12-6)8(10)11-2;1-4(8)5-2-3-6(11-5)7(9)10;;;;;;;;/h3-4,11H,1-2H3;3-5H,9H2,1-2H3;3-4H,1-2H3;2-3H,1H3,(H,9,10);3*1H4;1H3;3*1H2;/q;;;;;;;-1;;;;.

What are the key properties of 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate?

5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate has a molecular weight of 962.51 g/mol, XLogP of 6.56, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetylthiophene-2-carboxylic acid;carbanide;methane;methyl 5-acetylthiophene-2-carboxylate;methyl 5-(1-aminoethyl)thiophene-2-carboxylate;methyl 5-(N-hydroxy-C-methylcarbonimidoyl)thiophene-2-carboxylate;palladium;trihydrate is sourced from PubChem (CID 160541112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).