2H,3H,4H-pyrido[4,3-b][1,4]thiazine

• ChemBase ID: 236110
• Molecular Formular: C7H8N2S
• Molecular Mass: 152.21682
• Monoisotopic Mass: 152.04081927
• SMILES: c12NCCSc1ccnc2
• Canonical SMILES: C1CSc2c(N1)cncc2
• InChI: InChI=1S/C7H8N2S/c1-2-8-5-6-7(1)10-4-3-9-6/h1-2,5,9H,3-4H2
• InChIKey: SNEVQWCTDCALIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,4H-pyrido[4,3-b][1,4]thiazine
• IUPAC Traditional name: 2H,3H,4H-pyrido[4,3-b][1,4]thiazine
• Synonyms: 2H,3H,4H-pyrido[4,3-b][1,4]thiazine

Database IDs

• MDL Number: MFCD22196516
• PubChem SID: 164292020
• PubChem CID: 21961532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21521047
• LogD (pH = 7.4): 0.42171124
• Log P: 0.4253583
• Molar Refractivity: 45.088 cm^3
• Polarizability: 16.566887 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.771

Product Information

• Purity: 95%