3313-27-7
Product Name:
TRANS-THIOTHIXENE
Formula:
C23H29N3O2S2
Synonyms:
(E)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide;trans-Thiothixene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | White to tan crystals cis-, trans- mixture) |
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Odor | Practically odorless |
Taste | Has very bitter taste |
Melting Point | 114-118 °C (cis-, trans- mixture) |
Solubility | Pratically insoluble in water (cis-, trans- mixture) |
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/ |
Other Experimental Properties | pH: ready-to-use injection: from 2.5-3.5; constituted powder: from 2.3-3.7 /Thiothixene hydrochloride/ |
COMPUTED DESCRIPTORS
Molecular Weight | 443.6 g/mol |
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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
N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide is a member of thioxanthenes.