AC1MIJDA
[2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate
Also Known As: Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester|[2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate|2-{[(5-{[(2-Methoxyphenyl)carbamothioyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]carbonyl}phenyl acetate
| Molecular Formula | C19H16N4O4S3 |
|---|---|
| Molecular Weight | 460.03336 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.03336 |
| Monoisotopic Mass | 460.03336 |
| Heavy Atoms | 30 |
| Complexity | 1086.9012 |
Chemical Identifiers
| CAS Number | 86910-93-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)SC2=NN=C(S2)NC(=S)NC3=CC=CC=C3OC |
Product Overview
AC1MIJDA (CAS 86910-93-2), with molecular formula C19H16N4O4S3 and molecular weight 460.03336 g/mol. IUPAC: [2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate.
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