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Anethole trithione

CAT: 0804-HY-B1223-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1223-01Size:100 mg
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Description
Anethole trithione, a sulfur heterocyclic choleretic, is a bile secretion-stimulating agent. Anethole trithione enhances salivary secretion and increases mAChRs, and can be used for dry mouth research[1][2].
CAS Number
532-11-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MAChR
Type
Natural Products
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Anethole-trithione.html
Purity
99.76
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
S=C1SSC(C2=CC=C(OC)C=C2)=C1
Molecular Formula
C10H8OS3
Molecular Weight
240.36
Precautions
H302, H315, H319, H335
References & Citations
[1]T Nagano, et al. Enhancement of salivary secretion and neuropeptide (substance P, alpha-calcitonin gene-related peptide) levels in saliva by chronic anethole trithione treatment. J Pharm Pharmacol. 2001 Dec;53 (12) :1697-702.|[2]Sheng Huang, et al. Synthesis, Characterization, and In Vivo Evaluation of Desmethyl Anethole Trithione Phosphate Prodrug for Ameliorating Cerebral Ischemia-Reperfusion Injury in Rats. ACS Omega. 2020 Feb 24;5 (9) :4595-4602.|[3]Y Ukai, et al. Chronic anethole trithione treatment enhances the salivary secretion and increases the muscarinic acetylcholine receptors in the rat submaxillary gland. Arch Int Pharmacodyn Ther. 1984 Oct;271 (2) :206-12.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
Launched

Chemical Information

5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione

Anetholtrithion is a member of methoxybenzenes.

CAS Number532-11-6
PubChem CID2194
IUPAC Name5-(4-methoxyphenyl)dithiole-3-thione
Molecular FormulaC10H8OS3
Molecular Weight240.4
XLogP2.8
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity254
SMILES
COC1=CC=C(C=C1)C2=CC(=S)SS2
InChI
InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
InChIKey
KYLIZBIRMBGUOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CAS: 532-11-6
CID: 2194
Formula: C10H8OS3
MW: 240.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass239.97372840
Monoisotopic Mass239.97372840
Topological Polar Surface Area91.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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