![3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one structure](/static/products/531/5316-87-0.png)
3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one
3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: 3-(4-nitrobenzyl)benzo[d]thiazol-2(3H)-one|3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one|2(3h)-benzo[d]thiazolone,3-[(4-nitrophenyl)methyl]-|3-[(4-nitrophenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
CAS: 5316-87-0
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.0412 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0412 |
| Monoisotopic Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 5316-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LXQREGGBLTUBTM-UHFFFAOYSA-N |
Product Overview
3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one (CAS 5316-87-0), with molecular formula C14H10N2O3S and molecular weight 286.0412 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one.
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 →
3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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