Ethyl 3-(furfurylthio)propionate

• CAS: 94278-27-0
• Catalog Number: ACM94278270
• Category: Other Products
• Molecular Weight: 214.28
• Molecular Formula: C₁₀H₁₄O₃S
• Synonyms: Propanoic acid, 3-((2-furanylmethyl)thio)-, ethyl ester
• IUPAC Name: Ethyl 3-(furan-2-ylmethylsulfanyl)propanoate
• Canonical SMILES: CCOC(=O)CCSCC1=CC=CO1
• InChI: InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3
• InChI Key: ZKCVVCLCYIXCOD-UHFFFAOYSA-N
• Boiling Point: 120 °C
• Flash Point: >230 °F
• Density: 1.125 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in fat
• Exact Mass: 214.06636548
• Monoisotopic Mass: 214.06636548
• Odor: Pungent roasted sulfury aroma
• Physical State: Liquid
• Refractive Index: n20/D 1.506(lit.)
• Topological Polar Surface Area: 64.7 Ų

Custom Q&A

What is the molecular formula of Ethyl 3-(furfurylthio)propionate?

The molecular formula of Ethyl 3-(furfurylthio)propionate is C10H14O3S.

What is the molecular weight of Ethyl 3-(furfurylthio)propionate?

The molecular weight of Ethyl 3-(furfurylthio)propionate is 214.28 g/mol.

What is the IUPAC name of Ethyl 3-(furfurylthio)propionate?

The IUPAC name of Ethyl 3-(furfurylthio)propionate is ethyl 3-(furan-2-ylmethylsulfanyl)propanoate.

What is the InChI key of Ethyl 3-(furfurylthio)propionate?

The InChI key of Ethyl 3-(furfurylthio)propionate is ZKCVVCLCYIXCOD-UHFFFAOYSA-N.

What is the CAS number of Ethyl 3-(furfurylthio)propionate?

The CAS number of Ethyl 3-(furfurylthio)propionate is 94278-27-0.

What is the FEMA number of Ethyl 3-(furfurylthio)propionate?

The FEMA number of Ethyl 3-(furfurylthio)propionate is 3674.

What is the XLogP3-AA value of Ethyl 3-(furfurylthio)propionate?

The XLogP3-AA value of Ethyl 3-(furfurylthio)propionate is 1.7.

How many hydrogen bond acceptors are present in Ethyl 3-(furfurylthio)propionate?

There are 4 hydrogen bond acceptors present in Ethyl 3-(furfurylthio)propionate.

How many rotatable bonds are there in Ethyl 3-(furfurylthio)propionate?

There are 7 rotatable bonds in Ethyl 3-(furfurylthio)propionate.

What is the topological polar surface area of Ethyl 3-(furfurylthio)propionate?

The topological polar surface area of Ethyl 3-(furfurylthio)propionate is 64.7 ?2.