thieno[3,2-d]pyrimidin-4-ol

• ChemBase ID: 287524
• Molecular Formular: C6H4N2OS
• Molecular Mass: 152.17376
• Monoisotopic Mass: 152.00443376
• SMILES: Oc1c2c(ccs2)ncn1
• Canonical SMILES: Oc1ncnc2c1scc2
• InChI: InChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
• InChIKey: PZMKGWRBZNOIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-d]pyrimidin-4-ol
• IUPAC Traditional name: thieno[3,2-d]pyrimidin-4-ol
• Synonyms: Thieno[3,2-d]pyrimidin-4-ol

Database IDs

• PubChem SID: 180673055
• PubChem CID: 2760611

CALCULATED PROPERTIES

• Acid pKa: 11.606932
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6025017
• LogD (pH = 7.4): 1.6024762
• Log P: 1.6025028
• Molar Refractivity: 37.9848 cm^3
• Polarizability: 15.337901 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%