2-(4-methyl-1,3-thiazol-5-yl)ethyl formate

• ChemBase ID: 293116
• Molecular Formular: C7H9NO2S
• Molecular Mass: 171.21686
• Monoisotopic Mass: 171.03539953
• SMILES: O=COCCc1c(C)ncs1
• Canonical SMILES: O=COCCc1scnc1C
• InChI: InChI=1S/C7H9NO2S/c1-6-7(11-4-8-6)2-3-10-5-9/h4-5H,2-3H2,1H3
• InChIKey: MONFGMLYTMEKTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl formate
• IUPAC Traditional name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl formate
• Synonyms: 2-(4-Methylthiazol-5-yl)ethyl formate

Database IDs

• CAS Number: 90731-56-9
• PubChem SID: 180678647
• PubChem CID: 12833143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8092652
• LogD (pH = 7.4): 0.8095823
• Log P: 0.80958635
• Molar Refractivity: 41.9843 cm^3
• Polarizability: 16.225391 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%