m-Nitrothiobenzoic acid S-p-tolyl ester
S-(4-methylphenyl) 3-nitrobenzenecarbothioate
Also Known As: m-Nitrothiobenzoic acid S-p-tolyl ester|3-Nitrothiobenzoic acid S-(4-methylphenyl) ester|S-(4-Methylphenyl) 3-nitrobenzenecarbothioate|S-(4-Methylphenyl) 3-nitrobenzenecarbothioate #|[(4-methylphenyl)sulfanyl](3-nitrophenyl)methanone|Benzenecarbothioic acid, 3-nitro-, S-(4-methylphenyl) ester
CAS: 52909-89-4
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.04596 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Monoisotopic Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 52909-89-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | UCGGOBKULOTBJR-UHFFFAOYSA-N |
Product Overview
m-Nitrothiobenzoic acid S-p-tolyl ester (CAS 52909-89-4), with molecular formula C14H11NO3S and molecular weight 273.04596 g/mol. IUPAC: S-(4-methylphenyl) 3-nitrobenzenecarbothioate.
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.
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m-Nitrothiobenzoic acid S-p-tolyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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