4-(4-acetamidophenyl)sulfanyl-3-nitro-5-sulfamoylbenzoic acid
Modify Date: 2025-11-25 13:23:36
4-(4-acetamidophenyl)sulfanyl-3-nitro-5-sulfamoylbenzoic acid structure
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Common Name | 4-(4-acetamidophenyl)sulfanyl-3-nitro-5-sulfamoylbenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 53136-49-5 | Molecular Weight | 411.41000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C15H13N3O7S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-(4-acetamidophenyl)sulfanyl-3-nitro-5-sulfamoylbenzoic acid |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C15H13N3O7S2 |
|---|---|
| Molecular Weight | 411.41000 |
| Exact Mass | 411.01900 |
| PSA | 209.55000 |
| LogP | 5.00380 |
| InChIKey | OBILFNFZNSZGME-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(Sc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1 |
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4-(4-acetamidop... CAS#:53136-49-5 |
| Literature: Ciba-Geigy Corporation Patent: US3982018 A1, 1976 ; |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| Benzoic acid,4-[[4-(acetylamino)phenyl]thio]-3-(aminosulfonyl)-5-nitro |
| 4-(4-acetamidophenylmercapto)-3-nitro-5-sulfamoylbenzoic acid |