AC1M3TS2
N-[[5-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
Also Known As: N-[[5-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide|N-{[5-({2-[(4-iodo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
CAS: 694467-91-9
| Molecular Formula | C21H22IN5O2S |
|---|---|
| Molecular Weight | 535.0539 g/mol |
| LogP | 3.69734 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.0539 |
| Monoisotopic Mass | 535.0539 |
| Heavy Atoms | 30 |
| Complexity | 1065.7587 |
Chemical Identifiers
| CAS Number | 694467-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)I)C |
Product Overview
AC1M3TS2 (CAS 694467-91-9), with molecular formula C21H22IN5O2S and molecular weight 535.0539 g/mol. IUPAC: N-[[5-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide.
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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