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5-{[(4-Methylphenyl)sulfanyl]methyl}-2-furoic acid
[CAS# 915923-20-5]

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Identification
Name 5-{[(4-Methylphenyl)sulfanyl]methyl}-2-furoic acid
Synonyms 5-[(4-methylphenylthio)methyl]furan-2-carboxylic acid; 5-{[(4-methylphenyl)sulfanyl]methyl}-2-furoic acid; 5-{[(4-methylphenyl)sulfanyl]methyl}furan-2-carboxylic acid
Molecular Structure CAS#: 915923-20-5, 5-{[(4-Methylphenyl)sulfanyl]methyl}-2-furoic acid
Molecular Formula C13H12O3S
Molecular Weight 248.30
CAS Registry Number 915923-20-5
SMILES OC(=O)c2ccc(CSc1ccc(C)cc1)o2
InChI 1S/C13H12O3S/c1-9-2-5-11(6-3-9)17-8-10-4-7-12(16-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKey YVVQCTVUNAOQNE-UHFFFAOYSA-N
Properties
Density 1.31g/cm3 (Cal.)
Boiling point 422.204°C at 760 mmHg (Cal.)
Flash point 209.141°C (Cal.)
Refractive index 1.63 (Cal.)
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