4-chloro-2-methylthieno[3,2-d]pyrimidine

• ChemBase ID: 287525
• Molecular Formular: C7H5ClN2S
• Molecular Mass: 184.646
• Monoisotopic Mass: 183.98619685
• SMILES: Cc1nc(Cl)c2c(ccs2)n1
• Canonical SMILES: Cc1nc(Cl)c2c(n1)ccs2
• InChI: InChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
• InChIKey: OSAOHHSXWALXET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylthieno[3,2-d]pyrimidine
• IUPAC Traditional name: 4-chloro-2-methylthieno[3,2-d]pyrimidine
• Synonyms: 4-Chloro-2-methylthieno[3,2-d]pyrimidine

Database IDs

• CAS Number: 319442-16-5
• MDL Number: MFCD09834968
• PubChem SID: 180673056
• PubChem CID: 22674459

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6587093
• LogD (pH = 7.4): 2.6587243
• Log P: 2.6587243
• Molar Refractivity: 46.1809 cm^3
• Polarizability: 18.443405 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%