CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless oily liquid; extremely powerful and diffusive odour which on dilution becomes agreeable, coffee-like, caramellic-burnt, sweet |
|---|---|
| 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 |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.17 g/mol |
|---|---|
| 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.