AC1MD2PL
4-[[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]carbamothioylamino]benzoic acid
Also Known As: CBDivE_005789|4-(3-(2,2,2-trichloro-1-isobutyramidoethyl)thioureido)benzoic acid|4-({[2,2,2-TRICHLORO-1-(2-METHYLPROPANAMIDO)ETHYL]CARBAMOTHIOYL}AMINO)BENZOIC ACID|4-[({2,2,2-trichloro-1-[(2-methylpropanoyl)amino]ethyl}carbamothioyl)amino]benzoic acid|4-[[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]carbamothioylamino]benzoic acid|4-[(thioxo{[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]amino}methyl)amino ]benzoic acid
CAS: 294657-74-2
| Molecular Formula | C14H16Cl3N3O3S |
|---|---|
| Molecular Weight | 410.9978 g/mol |
| LogP | 3.1397 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.9978 |
| Monoisotopic Mass | 410.9978 |
| Heavy Atoms | 24 |
| Complexity | 617.93097 |
Chemical Identifiers
| CAS Number | 294657-74-2 |
|---|---|
| SMILES | CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)C(=O)O |
Product Overview
AC1MD2PL (CAS 294657-74-2), with molecular formula C14H16Cl3N3O3S and molecular weight 410.9978 g/mol. IUPAC: 4-[[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]carbamothioylamino]benzoic acid.
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 →
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