[(2,4-dibromo-6-nitrophenyl)imino]dimethyl-$l^{6}-sulfanone

• ChemBase ID: 58829
• Molecular Formular: C8H8Br2N2O3S
• Molecular Mass: 372.03372
• Monoisotopic Mass: 369.86223713
• SMILES: c1(c(N=S(=O)(C)C)c(cc(c1)Br)Br)[N+](=O)[O-]
• Canonical SMILES: Brc1cc(Br)c(c(c1)[N+](=O)[O-])N=S(=O)(C)C
• InChI: InChI=1S/C8H8Br2N2O3S/c1-16(2,15)11-8-6(10)3-5(9)4-7(8)12(13)14/h3-4H,1-2H3
• InChIKey: ZRAZOPCXEHHGAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dibromo-6-nitrophenyl)imino]dimethyl-$l^{6}-sulfanone
• IUPAC Traditional name: [(2,4-dibromo-6-nitrophenyl)imino]dimethyl-$l^{6}-sulfanone
• Synonyms: N-(2,4-Dibromo-6-nitrophenyl)-S,S-dimethylsulfoximine

Database IDs

• MDL Number: MFCD16618475
• PubChem SID: 162063592
• PubChem CID: 51342112

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.504703
• LogD (pH = 7.4): 2.5047033
• Log P: 2.5047033
• Molar Refractivity: 71.8489 cm^3
• Polarizability: 26.815266 Å^3
• Polar Surface Area: 75.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false