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N-Acetyl-S-(4-nitrophenyl)-L-cysteine - >98.0%(T), high purity , CAS No.91088-55-0
Basic Description
Synonyms | (R)-2-Acetamido-3-(4-nitrophenylthio)propionic Acid | AS-63226 | (R)-2-Acetamido-3-((4-nitrophenyl)thio)propanoic acid | MFCD00671484 | L-4-Nitrophenylmercapturic Acid | (R)-2-acetamido-3-(4-nitrophenylthio)propanoic acid | CS-0201571 | HY-W141773 | DTXSI |
Specifications & Purity | ≥98%(T) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid |
INCHI | InChI=1S/C11H12N2O5S/c1-7(14)12-10(11(15)16)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/t10-/m0/s1 |
InChi Key | LOBKSYPZBSVLLE-JTQLQIEISA-N |
Canonical SMILES | CC(=O)NC(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
Isomeric SMILES | CC(=O)N[C@@H](CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
PubChem CID | 185069 |
Molecular Weight | 284.29 |
Reaxy-Rn | 2568012 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Moisture Sensitive |
Melt Point(°C) | 158 °C |
Molecular Weight | 284.290 g/mol |
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XLogP3 | 1.200 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 5 |
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Exact Mass | 284.047 Da |
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Monoisotopic Mass | 284.047 Da |
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Topological Polar Surface Area | 138.000 Ų |
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Heavy Atom Count | 19 |
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Formal Charge | 0 |
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Complexity | 349.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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