Thiochrome

Base Information

• Chemical Name: Thiochrome
• CAS No.: 92-35-3
• Deprecated CAS: 51810-67-4
• Molecular Formula: C12H14 N4 O S
• Molecular Weight: 262.335
• Hs Code.: 2934999090
• European Community (EC) Number: 202-149-9
• NSC Number: 56339
• UNII: 65UT4V5Z34
• DSSTox Substance ID: DTXSID3059052
• Nikkaji Number: J9.329G
• Wikipedia: Thiochrome
• Wikidata: Q27088985
• Pharos Ligand ID: 5GQGSPHD4HBZ
• Mol file: 92-35-3.mol

Synonyms:2,7-dimethylthiochromine-8-ethanol;thiochrome

Chemical Property of Thiochrome

Chemical Property:

• Vapor Pressure: 2.36E-09mmHg at 25°C
• Melting Point: 228.8°C
• Refractive Index: 1.6440 (estimate)
• Boiling Point: 462.6°C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 233.5°C
• PSA: 91.54000
• Density: 1.49g/cm³
• LogP: 0.52090
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 262.08883226
• Heavy Atom Count: 18
• Complexity: 409

Purity/Quality:

NLT 98% ^*data from raw suppliers

Thiochrome ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO
• Uses: Thiochrome is a selective M4 muscarinic receptor enhancer of acetylcholine affinity.

Technology Process of Thiochrome

There total 32 articles about Thiochrome which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-Nitro-benzenethiolate3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-2-(4-nitro-phenylsulfanyl)-thiazol-3-ium; (96643-11-7) → 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione (299-35-4) + thiochrome (92-35-3)

Guidance literature:

In acetonitrile; for 3h; Heating;

DOI:10.1016/S0040-4039(00)61955-X

Reference yield:

Aneurin (70-16-6) → thiochrome (92-35-3)

Guidance literature:

With mercury dichloride; In water; at 22.8 ℃; Rate constant; various pH;

DOI:10.1021/ac50063a042

Reference yield:

vitamin B1 (59-43-8) → thiochrome (92-35-3)

Guidance literature:

With tannin capped gold nanoparticles; In methanol; water; for 0.333333h;

DOI:10.1039/c4ra03883e

upstream raw materials:

2-amino-5-(2-hydroxyethyl)-4-methylthiazole

4-chloro-5-chloromethyl-2-methyl-pyrimidine

2-(4-methyl-2-methylsulfanyl-thiazol-5-yl)-ethanol

4-amino-5-bromomethyl-2-methylpyrimidine hydrobromide

Refernces

• 1、 Ryan, Mary Andrieu,Ingle, J. D.. "Fluorometric Reaction Rate Method for the Determination of Thiamine". . p. 2177 - 2184. Retrieved 1980.
• 2、 Zhang, Haijuan,Chen, Jia,Yang, Yali,Wang, Li,Li, Zhan,Qiu, Hongdeng. "Discriminative Detection of Glutathione in Cell Lysates Based on Oxidase-Like Activity of Magnetic Nanoporous Graphene". . p. 5004 - 5010. Retrieved 2019.