CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 25.3 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 179.28 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.07687059 g/mol |
| Monoisotopic Mass | 179.07687059 g/mol |
| Topological Polar Surface Area | 58.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 157 |
| 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
4-propan-2-ylbenzenecarbothioamide is a monoterpenoid.