6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine

• ChemBase ID: 120361
• Molecular Formular: C8H10N4S
• Molecular Mass: 194.2568
• Monoisotopic Mass: 194.06261734
• SMILES: c12c(sc(c1)CC)ncnc2NN
• Canonical SMILES: CCc1sc2c(c1)c(NN)ncn2
• InChI: InChI=1S/C8H10N4S/c1-2-5-3-6-7(12-9)10-4-11-8(6)13-5/h3-4H,2,9H2,1H3,(H,10,11,12)
• InChIKey: BNTVYPPAVREZHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine
• IUPAC Traditional name: 6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine
• Synonyms: 6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine; 6-Ethyl-4-hydrazinothieno[2,3-d]pyrimidine; 6-ethyl-4-hydrazinothieno[2,3-d]pyrimidine

Database IDs

• CAS Number: 439692-51-0
• MDL Number: MFCD03303485
• PubChem SID: 162214714
• PubChem CID: 950118

CALCULATED PROPERTIES

• Acid pKa: 18.708021
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3460658
• LogD (pH = 7.4): 2.369446
• Log P: 2.369752
• Molar Refractivity: 55.6155 cm^3
• Polarizability: 20.224186 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H10N4S

DETAILS

Sigma Aldrich - CBR00566

Other Notes
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Legal Information
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