cyclohexyl(2,4-dinitrophenoxycarbonyl)disulfanylaminyl

• ChemBase ID: 112568
• Molecular Formular: C13H16N3O6S2
• Molecular Mass: 374.41264
• Monoisotopic Mass: 374.04805225
• SMILES: [O-][N+](=O)c1ccc(OC(=O)[N](S)(S)C2CCCCC2)c(c1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1OC(=O)[N](C1CCCCC1)(S)S)[N+](=O)[O-]
• InChI: InChI=1S/C13H16N3O6S2/c17-13(16(23,24)10-4-2-1-3-5-10)22-12-7-6-9(14(18)19)8-11(12)15(20)21/h6-8,10,23-24H,1-5H2
• InChIKey: QITPMVIRXJGVRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(2,4-dinitrophenoxycarbonyl)disulfanylaminyl
• IUPAC Traditional name: cyclohexyl(2,4-dinitrophenoxycarbonyl)disulfanylaminyl
• Synonyms: 2,4-DINITROPHENYL-N-CYCLOHEXYLDITHIO CARBAMATE

Database IDs

• PubChem SID: 162106754
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 88.739 cm^3
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05224671

MP Biomedicals Rare Chemical collection