![Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate structure](/static/products/4609/460992-43-2.webp)
Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
Also Known As: ASN 04935784|methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate|4-[3-(3-Imidazol-1-yl-propyl)-thioureido]-benzoic acid methyl ester|Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
CAS: 460992-43-2
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.11505 g/mol |
| LogP | 2.0464 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11505 |
| Monoisotopic Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 610.9825 |
Chemical Identifiers
| CAS Number | 460992-43-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 |
Product Overview
Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate (CAS 460992-43-2), with molecular formula C15H18N4O2S and molecular weight 318.11505 g/mol. IUPAC: methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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