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

• ChemBase ID: 178779
• Molecular Formular: C10H13NO2S
• Molecular Mass: 211.28072
• Monoisotopic Mass: 211.06669966
• SMILES: N1(C[C@@H]1C)S(=O)(=O)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]1C
• InChI: InChI=1S/C10H13NO2S/c1-8-3-5-10(6-4-8)14(12,13)11-7-9(11)2/h3-6,9H,7H2,1-2H3/t9-,11?/m0/s1
• InChIKey: DRZLZRGBQZRSJI-FTNKSUMCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methyl-1-(4-methylbenzenesulfonyl)aziridine
• IUPAC Traditional name: (2S)-2-methyl-1-(4-methylbenzenesulfonyl)aziridine
• Synonyms: (S)-2-Methyl-1-[(4-methylphenyl)sulfonyl]aziridine; (S)-1-Tosyl-2-methylaziridine

Database IDs

• CAS Number: 119461-40-4
• PubChem SID: 164234689
• PubChem CID: 7173754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7851002
• LogD (pH = 7.4): 1.7851002
• Log P: 1.7851002
• Molar Refractivity: 55.5003 cm^3
• Polarizability: 22.166677 Å^3
• Polar Surface Area: 37.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Brown Solid