3313-26-6
Product Name:
CIS-THIOTHIXENE
Formula:
C23H29N3O2S2
Synonyms:
cis-Thiothixene;N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to tan crystals cis-, trans- mixture) |
| Odor | Practically odorless |
| Taste | Has very bitter taste |
| Melting Point | 114-118 °C (cis-, trans- mixture) |
| Solubility | >66.5 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | log Kow = 3.78 |
| Decomposition | When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/. |
| pH | pH: ready-to-use injection: from 2.5-3.5; constituted powder: from 2.3-3.7 /Thiothixene hydrochloride/ |
| Collision Cross Section | 201.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | pH: ready-to-use injection: from 2.5-3.5; constituted powder: from 2.3-3.7 /Thiothixene hydrochloride/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 443.6 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 443.17011952 g/mol |
| Monoisotopic Mass | 443.17011952 g/mol |
| Topological Polar Surface Area | 77.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 711 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thiothixene is a N-methylpiperazine. It has a role as an anticoronaviral agent.