98-02-2
Product Name:
Furfuryl mercaptan
Formula:
C5H6OS
Synonyms:
2-Furanmethanethiol;2-Furfurylthiol;2-Furylmethanethiol;Furfuryl mercaptan
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless oily liquid; extremely powerful and diffusive odour which on dilution becomes agreeable, coffee-like, caramellic-burnt, sweet |
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Boiling Point | 263.00 to 265.00 °C. @ 17.00 mm Hg |
Melting Point | 113.00 to 115.00 °C. @ 760.00 mm Hg |
Solubility | 5000 mg/L @ 20 °C (exp) |
Density | 1.125-1.135 (20°) |
Refractive Index | 1.527-1.542 |
Kovats Retention Index | 883 891 883 883 901 888 889 887 881 892 894 907 900 901 903 878 878 883 890 892 890 896 881 888 880 880 883 885 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 114.17 g/mol |
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XLogP3 | 1.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 114.01393598 g/mol |
Monoisotopic Mass | 114.01393598 g/mol |
Topological Polar Surface Area | 14.1 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 56 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Furanmethanethiol is a heteroarene.