CBMicro_030021
1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate
Also Known As: CBMicro_030021|BIM-0029985.P001|1,3-Benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzene-1-carboximidothioate|1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate
CAS: 5744-44-5
| Molecular Formula | C21H14N4O5S2 |
|---|---|
| Molecular Weight | 466.04056 g/mol |
| LogP | 5.9919 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.04056 |
| Monoisotopic Mass | 466.04056 |
| Heavy Atoms | 32 |
| Complexity | 1319.0762 |
Chemical Identifiers
| CAS Number | 5744-44-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=NC4=CC=CC=C4S3 |
Product Overview
CBMicro_030021 (CAS 5744-44-5), with molecular formula C21H14N4O5S2 and molecular weight 466.04056 g/mol. IUPAC: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate.
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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