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

• ChemBase ID: 65122
• Molecular Formular: C15H28ClNSSn
• Molecular Mass: 408.60852
• Monoisotopic Mass: 409.06529258
• SMILES: s1cc(nc1Cl)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)Cl)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3HClNS.Sn/c3*1-3-4-2;4-3-5-1-2-6-3;/h3*1,3-4H2,2H3;2H
• InChIKey: RYIOHYRNPZHDLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1245816-11-8
• MDL Number: MFCD16140394
• PubChem SID: 162030861
• PubChem CID: 46839954

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2793503
• LogD (pH = 7.4): 5.2793994
• Log P: 5.2794
• Molar Refractivity: 84.4378 cm^3
• Polarizability: 37.627594 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%