10-methyl-10H-phenothiazine

• ChemBase ID: 150193
• Molecular Formular: C13H11NS
• Molecular Mass: 213.29814
• Monoisotopic Mass: 213.06122036
• SMILES: CN1c2ccccc2Sc2c1cccc2
• Canonical SMILES: CN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3
• InChIKey: QXBUYALKJGBACG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-10H-phenothiazine
• IUPAC Traditional name: 10H-phenothiazine, 10-methyl-
• Synonyms: 10-Methylphenothiazine; 10-甲基吩噻嗪; N-甲基吩噻嗪

Database IDs

• CAS Number: 1207-72-3
• EC Number: 214-896-8
• MDL Number: MFCD00041836
• PubChem SID: 24866627; 162244354
• PubChem CID: 71015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8523512
• LogD (pH = 7.4): 3.8523512
• Log P: 3.8523512
• Molar Refractivity: 66.067 cm^3
• Polarizability: 25.249327 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-103°C; 99-101 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H11NS

DETAILS

Sigma Aldrich - 425346

Packaging
5 g in glass bottle