2,5,6-trimethyl-1,3-benzoselenazole

• ChemBase ID: 111479
• Molecular Formular: C10H11NSe
• Molecular Mass: 224.16104
• Monoisotopic Mass: 225.00567036
• SMILES: Cc1nc2cc(C)c(C)cc2[se]1
• Canonical SMILES: Cc1[se]c2c(n1)cc(c(c2)C)C
• InChI: InChI=1S/C10H11NSe/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3
• InChIKey: LCZZKJPVZHCFMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethyl-1,3-benzoselenazole
• IUPAC Traditional name: 2,5,6-trimethyl-1,3-benzoselenazole
• Synonyms: 2,5,6-TRIMETHYLBENZOSELENAZOLE

Database IDs

• PubChem SID: 162106575
• PubChem CID: 76275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8490958
• LogD (pH = 7.4): 2.8540366
• Log P: 2.8541
• Molar Refractivity: 59.0109 cm^3
• Polarizability: 17.56116 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219428

MP Biomedicals Rare Chemical collection