CBMicro_039140
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: CBMicro_039140|CCG-3673|BIM-0039147.P001|AF-399/13478019|2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid|({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid|({4-allyl-5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
CAS: 5975-07-5
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.1205 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 105.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.1205 |
| Monoisotopic Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1152.6891 |
Chemical Identifiers
| CAS Number | 5975-07-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
CBMicro_039140 (CAS 5975-07-5), with molecular formula C22H20N4O4S and molecular weight 436.1205 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic 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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