AC1L6B4T
N-(1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-ylideneamino)-2,4-dinitroaniline
Also Known As: 4-methyl-5-oxo-hexanoic acid methyl ester|1-(2,4-dinitrophenyl)-2-(1,2,3,4,4a,11b-hexahydrodibenzo[b,d]thiepin-7(6h)-ylidene)hydrazine|N-(1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-ylidene|N-(1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-ylideneamino)-2,4-dinitroaniline
CAS: 36045-65-5
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.1205 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.1205 |
| Monoisotopic Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 36045-65-5 |
|---|---|
| SMILES | C1CCC2C(C1)C3=CC=CC=C3C(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])CS2 |
| InChIKey | MNSQHLWZCNELEF-UHFFFAOYSA-N |
Product Overview
AC1L6B4T (CAS 36045-65-5), with molecular formula C20H20N4O4S and molecular weight 412.1205 g/mol. IUPAC: N-(1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-ylideneamino)-2,4-dinitroaniline.
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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