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3313-27-7

3313-27-7 structural image
Product Name: TRANS-THIOTHIXENE
Formula: C23H29N3O2S2
Synonyms: (E)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide;trans-Thiothixene
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CHEMICAL AND PHYSICAL PROPERTIES

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 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
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.