4-(tributylstannyl)-1,3-thiazole-2-carbaldehyde

• ChemBase ID: 64202
• Molecular Formular: C16H29NOSSn
• Molecular Mass: 402.17356
• Monoisotopic Mass: 403.09917955
• SMILES: n1c(csc1C=O)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)C=O)(CCCC)CCCC
• InChI: InChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3
• InChIKey: SWNXZUKRZWHDGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)-1,3-thiazole-2-carbaldehyde
• IUPAC Traditional name: 4-(tributylstannyl)-1,3-thiazole-2-carbaldehyde
• Synonyms: 2-Formyl-4-(tributylstannyl)thiazole

Database IDs

• CAS Number: 231278-14-1
• MDL Number: MFCD09025791
• PubChem SID: 162029941
• PubChem CID: 16427111

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.725255
• LogD (pH = 7.4): 4.7252994
• Log P: 4.7253
• Molar Refractivity: 85.4599 cm^3
• Polarizability: 37.53998 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%