Benzoic acid, p-nitrothio-, S-(p-tolyl) ester
S-(4-methylphenyl) 4-nitrobenzenecarbothioate
Also Known As: S-(p-Tolyl) p-nitrothiobenzoate|RefChem:566153|AC1L1R2O|BRN 2507646|S-(p-Tolyl) 4-nitrothiolbenzoate|4-NitrothiobenzoicacidS-p-tolylester|LMFTVBRXQOQHQC-UHFFFAOYSA-N|S-(4-Methylphenyl) 4-nitrobenzenecarbothioate|4-Nitrothiobenzoic acid S-p-tolyl ester|BENZOIC ACID, p-NITROTHIO-, S-(p-TOLYL) ESTER|p-Nitrothiobenzoic acid S-p-tolyl ester|Benzoic acid, p-nitrothio-, S-p-tolyl ester|4-09-00-01399 (Beilstein Handbook Reference)|4-Nitro-thiobenzoic acid S-p-tolyl ester|J42.035B|S-(4-Methylphenyl)=4-nitrobenzenecarbothioate|S-(4-Methylphenyl) 4-nitrobenzenecarbothioate #|4-Nitrothiobenzoic acid S-(4-methylphenyl) ester|S-(4-Methylphenyl) 4-nitrobenzene-1-carbothioate|4-(Nitro)thiobenzoic acid S-(4-methylphenyl) ester|Benzenecarbothioic acid, 4-nitro-, S-(4-methylphenyl) ester|[(4-METHYLPHENYL)SULFANYL](4-NITROPHENYL)METHANONE|653-086-2
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.04596 g/mol |
| LogP | 3.84 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 605.6 |
Chemical Identifiers
| CAS Number | 28122-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzoic acid, p-nitrothio-, S-(p-tolyl) ester (CAS 28122-84-1), with molecular formula C14H11NO3S and molecular weight 273.04596 g/mol. IUPAC: S-(4-methylphenyl) 4-nitrobenzenecarbothioate.
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