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

• ChemBase ID: 81742
• Molecular Formular: C6H6N4S
• Molecular Mass: 166.20364
• Monoisotopic Mass: 166.03131721
• SMILES: n1c(c2c(nc1)ccs2)NN
• Canonical SMILES: NNc1ncnc2c1scc2
• InChI: InChI=1S/C6H6N4S/c7-10-6-5-4(1-2-11-5)8-3-9-6/h1-3H,7H2,(H,8,9,10)
• InChIKey: VSJGLBGUBIKIJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-d]pyrimidin-4-ylhydrazine
• IUPAC Traditional name: thieno[3,2-d]pyrimidin-4-ylhydrazine
• Synonyms: 4-Hydrazinothieno[3,2-d]pyrimidine

Database IDs

• CAS Number: 16229-26-8
• MDL Number: MFCD01763693
• PubChem SID: 162068861
• PubChem CID: 2777705

CALCULATED PROPERTIES

• Acid pKa: 17.219408
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2370843
• LogD (pH = 7.4): 1.2960302
• Log P: 1.2977108
• Molar Refractivity: 45.7106 cm^3
• Polarizability: 17.27721 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.234

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%