10H-Phenothiazine, 2-(ethylthio)-

Base Information

• Chemical Name: 10H-Phenothiazine, 2-(ethylthio)-
• CAS No.: 46815-10-5
• Molecular Formula: C14H13NS2
• Molecular Weight: 259.396
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID6068484
• Nikkaji Number: J422.500G
• Wikidata: Q81995224
• Mol file: 46815-10-5.mol

Synonyms:46815-10-5;2-Ethylthiophenothiazine;2-(Ethylthio)-10H-phenothiazine;10H-Phenothiazine, 2-(ethylthio)-;2-(Ethylthio)phenothiazine;2-ethylsulfanyl-10H-phenothiazine;C14H13NS2;SCHEMBL3690883;DTXSID6068484;C14-H13-N-S2;MFCD00191362;2-(Ethylsulfanyl)-10H-phenothiazine;AKOS027327411;2-(Ethylsulfanyl)-10H-phenothiazine #;AS-60576;CS-0094321;E0447;D75546

Chemical Property of 10H-Phenothiazine, 2-(ethylthio)-

Chemical Property:

• Melting Point: 100oC
• Boiling Point: 430.5°Cat760mmHg
• Flash Point: 214.2°C
• PSA: 62.63000
• Density: 1.3g/cm³
• LogP: 5.14480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 259.04894177
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Ethylthiophenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
• Uses: 2-Ethylthiophenothiazine is a metabolite of thiethylperazine (T344495). Thiethylperazine Dimalate is used as an anti-emetic drug specifically during pregnancy. Also a potent inhibitory agent against Enterococcus faecalis, a streptococcus Group D compound. Antibacterial.

Technology Process of 10H-Phenothiazine, 2-(ethylthio)-

There total 4 articles about 10H-Phenothiazine, 2-(ethylthio)- 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: 49.0%

10-acetyl-2-ethylsulfanyl-10H-phenothiazine (13409-71-7) → 2-(ethylthio)-10H-phenothiazine (46815-10-5)

Guidance literature:

10-acetyl-2-ethylsulfanyl-10H-phenothiazine; With Triethoxysilane; sodium triethylborohydride; In tert-butyl methyl ether; at 80 ℃; for 24h;

With hydrogenchloride; In tert-butyl methyl ether; water; at 20 ℃; for 1h; chemoselective reaction;

DOI:10.1039/c9cy00924h

Reference yield:

C20H24BNO2S2 → 2-(ethylthio)-10H-phenothiazine (46815-10-5)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.orglett.0c03033

Reference yield:

(3-ethylsulfanyl-phenyl)-phenyl-amine (68083-49-8) → 2-(ethylthio)-10H-phenothiazine (46815-10-5)

Guidance literature:

With iodine; sulfur; at 160 ℃;

DOI:10.1002/hlca.19580410420

upstream raw materials:

(3-ethylsulfanyl-phenyl)-phenyl-amine

10-acetyl-2-ethylsulfanyl-10H-phenothiazine

Downstream raw materials:

thiethylperazine

Refernces

• 1、 Yao, Wubing,Li, Rongrong,Yang, Jianguo,Hao, Feiyue. "Hydride-catalyzed selectively reductive cleavage of unactivated tertiary amides using hydrosilane". . p. 3874 - 3878. Retrieved 2019/08/07.