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Thiochrome (Standard)

CAT: 0804-HY-N7247RSize: 1 EachDry Ice: NoHazardous: No
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Description
Thiochrome (Standard) is the analytical standard of Thiochrome. This product is intended for research and analytical applications. Thiochrome, a natural oxidation product and metabolite of thiamine, is a selective M4 muscarinic receptor of acetylcholine (ACh) affinity enhancer. Thiochrome has neutral cooperativity with ACh at M1 to M3 receptors[1][2].
CAS Number
92-35-3
UNSPSC
12352005
Target
MAChR; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/thiochrome-standard.html
Smiles
OCCC1=C(C)N2CC3=CN=C(C)N=C3N=C2S1
Molecular Formula
C12H14N4OS
Molecular Weight
262.33
References & Citations
[1]Petrov SA, et al. Administration of Thiamine and Thiochrome Enhanced Reproduction of Chlorella, Drosophila melanogaster, and Danio. J Nutr Sci Vitaminol (Tokyo) . 2016;62 (1) :6-11.|[2]Lazareno S, et al. Thiochrome enhances acetylcholine affinity at muscarinic M4 receptors: receptor subtype selectivity via cooperativity rather than affinity. Mol Pharmacol. 2004 Jan;65 (1) :257-66.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Thiochrome

structure

CAS Number92-35-3
PubChem CID66706
IUPAC Name2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol
Molecular FormulaC12H14N4OS
Molecular Weight262.33
XLogP0.6
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity409
SMILES
CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO
InChI
InChI=1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3
InChIKey
GTQXMAIXVFLYKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiochrome
CAS: 92-35-3
CID: 66706
Formula: C12H14N4OS
MW: 262.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.33
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass262.08883226
Monoisotopic Mass262.08883226
Topological Polar Surface Area86.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity409
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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