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(Z) -Thiothixene

CAT: 0013-GTR19204502-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204502-02Size:5 mg
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Description
Thiothixene is a small molecule that acts as a serotonin receptor antagonist. It is used in research to investigate serotonergic pathways in neuropharmacology and psychiatry, with applications in both in vitro binding assays and in vivo behavioral studies.
CAS Number
3313-26-6
Product Name Alternative
Cis-Thiothixene, Navane, Serotonin Transporter, SerotoninTransporter, serotonin, Thiothixene
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.58% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.25 mM) ; DMSO:4.44 mg/mL (10.01 mM)
Smiles
C (\CCN1CCN (C) CC1) =C/2\C=3C (SC=4C2=CC=CC4) =CC=C (S (N (C) C) (=O) =O) C3
Molecular Formula
C23H29N3O2S2
Molecular Weight
443.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiothixene

Thiothixene is a N-methylpiperazine. It has a role as an anticoronaviral agent.

CAS Number3313-26-6
PubChem CID941651
IUPAC Name(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
Molecular FormulaC23H29N3O2S2
Molecular Weight443.6
XLogP3.8
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity710
SMILES
CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
InChIKey
GFBKORZTTCHDGY-UWVJOHFNSA-N
Chemical Structure
2D Structure
2D structure of Thiothixene
CAS: 3313-26-6
CID: 941651
Formula: C23H29N3O2S2
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass443.17011952
Monoisotopic Mass443.17011952
Topological Polar Surface Area77.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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