2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine

• ChemBase ID: 65181
• Molecular Formular: C18H28Cl2N2SSn
• Molecular Mass: 494.10032
• Monoisotopic Mass: 494.03721927
• SMILES: c1(nc(c2c(n1)cc(s2)[Sn](CCCC)(CCCC)CCCC)Cl)Cl
• Canonical SMILES: CCCC[Sn](c1cc2c(s1)c(Cl)nc(n2)Cl)(CCCC)CCCC
• InChI: InChI=1S/C6HCl2N2S.3C4H9.Sn/c7-5-4-3(1-2-11-4)9-6(8)10-5;3*1-3-4-2;/h1H;3*1,3-4H2,2H3
• InChIKey: DVRHIDUONZJHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine
• IUPAC Traditional name: 2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine
• Synonyms: 2,4-Dichloro-6-tributylstannylthieno-[3,2-d]pyrimidine

Database IDs

• CAS Number: 1245816-20-9
• MDL Number: MFCD17015009
• PubChem SID: 162030920
• PubChem CID: 46839961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8262
• LogD (pH = 7.4): 5.8262
• Log P: 5.8262
• Molar Refractivity: 104.047 cm^3
• Polarizability: 46.19086 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 92%