2-methoxy-10H-phenothiazine

• ChemBase ID: 173097
• Molecular Formular: C13H11NOS
• Molecular Mass: 229.29754
• Monoisotopic Mass: 229.05613498
• SMILES: c1ccc2c(c1)Nc1c(S2)ccc(c1)OC
• Canonical SMILES: COc1ccc2c(c1)Nc1c(S2)cccc1
• InChI: InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
• InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-10H-phenothiazine
• IUPAC Traditional name: 2-methoxy-10H-phenothiazine
• Synonyms: 2-Methoxy-10H-phenothiazine; Methyl Phenothiazin-2-yl Ether; NSC 72107; 2-Methoxy Phenothiazine; 2-Methoxy-10H-phenothiazine

Database IDs

• CAS Number: 1771-18-2
• PubChem SID: 164229007
• PubChem CID: 74490

CALCULATED PROPERTIES

• Acid pKa: 17.445496
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.471004
• LogD (pH = 7.4): 3.471004
• Log P: 3.471004
• Molar Refractivity: 67.6335 cm^3
• Polarizability: 25.891117 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - M265330

An impurity of Methotrimeprazine (M260785).A derivative of Phenothiazine (P318040) exhibits tuberculostatic activity.

REFERENCES

• Waisser, K., et al.: Folia. Pharm. Univ. Carol., 18, 41 (1995)