(2S)-2-methyl-1-(4-nitrobenzenesulfonyl)aziridine

• ChemBase ID: 66520
• Molecular Formular: C9H10N2O4S
• Molecular Mass: 242.2517
• Monoisotopic Mass: 242.03612781
• SMILES: N1([C@H](C1)C)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: C[C@H]1CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C9H10N2O4S/c1-7-6-10(7)16(14,15)9-4-2-8(3-5-9)11(12)13/h2-5,7H,6H2,1H3/t7-,10?/m0/s1
• InChIKey: IPKIIZQGCWXJFM-BYDSUWOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methyl-1-(4-nitrobenzenesulfonyl)aziridine
• IUPAC Traditional name: (2S)-2-methyl-1-(4-nitrobenzenesulfonyl)aziridine
• Synonyms: (S)-2-Methyl-1-(4-nitrobenzenesulfonyl)aziridine

Database IDs

• CAS Number: 374783-78-5
• MDL Number: MFCD07782028
• PubChem SID: 162032258
• PubChem CID: 11356915

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.211663
• LogD (pH = 7.4): 1.211663
• Log P: 1.211663
• Molar Refractivity: 56.7796 cm^3
• Polarizability: 22.38543 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%