Chemical Properties of Ethanethioic acid, S-(2-furanylmethyl) ester (CAS 13678-68-7)

InChI

InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

InChI Key

LQOUTUIIYXYBQW-UHFFFAOYSA-N

Formula

C7H8O2S

SMILES

CC(=O)SCc1ccco1

Molecular Weight¹

156.20

CAS

13678-68-7

Other Names

• Acetic acid, thio-, S-furfuryl ester
• Furfurylthiol acetate
• S-Furfuryl thioacetate
• S-furfuryl ethanethioate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.58		Crippen Calculated Property
logPoct/wat	2.059		Crippen Calculated Property
McVol	113.820	ml/mol	McGowan Calculated Property
Inp	1163.00		NIST
I	[1769.00; 1769.00]
I	1769.00		NIST
I	1769.00		NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethanethioic acid, S-(2-furanylmethyl) ester.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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