CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 214-218 °C @ 0.1 MM HG |
|---|---|
| Melting Point | MP: 167-169 °C /DIMALEATE/ |
| Solubility | SOL IN ETHER |
| Stability/Shelf Life | SENSITIVE TO LIGHT; UNSTABLE IN HEAT /DIHYDROCHLORIDE/ |
| Refractive Index | INDEX OF REFRACTION: 1.589 (ALPHA), 1.609 (BETA), 1.700 (GAMMA) /DIHYDROCHLORIDE/ |
| Dissociation Constants | PKA= 7.3 |
| Kovats Retention Index | 3480 3468 3468 3465 |
| Other Experimental Properties | DECOMP BETWEEN 223-229 °C /DIHYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 446.0 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 445.1590760 g/mol |
| Monoisotopic Mass | 445.1590760 g/mol |
| Topological Polar Surface Area | 61.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 561 |
| 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
Thiopropazate is a phenothiazine derivative in which 10H-phenothiazine has a chloro subsitituent at the 2-position and a 3-[4-(2-acetoxyethyl)piperazin-1-yl]propyl group at N-10. It has a role as a phenothiazine antipsychotic drug and a dopaminergic antagonist. It is a member of phenothiazines, a N-alkylpiperazine, an acetate ester and an organochlorine compound.