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

• ChemBase ID: 279268
• Molecular Formular: C7H8N2S
• Molecular Mass: 152.21682
• Monoisotopic Mass: 152.04081927
• SMILES: c12SCCNc2cccn1
• Canonical SMILES: C1CSc2c(N1)cccn2
• InChI: InChI=1S/C7H8N2S/c1-2-6-7(9-3-1)10-5-4-8-6/h1-3,8H,4-5H2
• InChIKey: DQOOELMGDDSIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16991714
• PubChem SID: 164335178
• PubChem CID: 10820751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0122577
• LogD (pH = 7.4): 1.0197198
• Log P: 1.0198158
• Molar Refractivity: 45.4015 cm^3
• Polarizability: 16.582294 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%