2-Methylthiophenothiazine supplier

Name
2-Methylthiophenothiazine
EINECS 231-581-0
CAS No. 7643-08-5
Article Data16
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 140-144 °C
Formula C₁₃H₁₁NS₂
Boiling Point 421 °C at 760 mmHg
Molecular Weight 245.369
Flash Point 208.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenothiazine,2-(methylthio)- (6CI,7CI,8CI);2-(Methylthio)phenothiazine;2-Methylthio-10H-phenothiazine;3-(Methylthio)phenothiazine;
PSA 62.63000
LogP 4.75470

Synthetic route

: 13313-45-6
N-(3-methylthiophenyl)phenylamine

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With iodine In acetone for 0.0133333h; Irradiation;	82%
With iodine; sulfur at 135℃; for 1h;

: 129846-83-9
2-(2-fluorophenylthio)-5-(methylthio)aniline

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydride In xylene for 10h; Heating;	65%
Multi-step reaction with 2 steps 1: 89 percent / 4 h / Heating 2: 1.) K2CO3, 2.) 20percent ethanolic KOH / 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 6 h View Scheme

: 7623-78-1
2-(2-bromophenylthio)-5-(methylthio)aniline

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide for 15h; Heating;	55%

: 38076-67-4
10H-phenothiazine-10-carbaldehyde

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
In AlCl3	51%
In AlCl3	51%
In 1,1,2,2-tetrachloroethane	40%
In 1,1,2,2-tetrachloroethane	40%

: 13313-45-6
N-(3-methylthiophenyl)phenylamine

A: 20349-56-8
4-methylsulfanyl-phenothiazine

B: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With iodine; sulfur at 160℃;

: 99970-41-9
10H-phenothiazine-2-thiol

: 77-78-1
dimethyl sulfate

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydroxide

: 16868-91-0
2-methylsulfanyl-phenothiazine-10-carboxylic acid hydrazide

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With butanone In ethanol Product distribution; Heating; other ketones : diethyl ketone, acetophenone;

: 5166-81-4
3-Acetamino-1-methylmercapto-4-<2-brom-phenylmercapto>-benzol

A: 7643-08-5
2-(methylthio)-10H-phenothiazine

B: 129847-12-7
2-(methylyhio)-7-(2-(methylthio)phenothiazine-10-yl)-phenothiazine

Conditions

Conditions	Yield
With potassium hydroxide; copper; potassium carbonate 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 5 h; Yield given. Multistep reaction. Yields of byproduct given;

: 129846-84-0
2-(2-fluorophenylthio)-5-(methylthio)acetanilide

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With potassium hydroxide; potassium carbonate 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 6 h; Yield given. Multistep reaction;

: 1199-36-6
1-chloro-4-(methylthio)-2-nitrobenzene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 79 percent / NaOH / ethanol / 6 h / Heating 2: 1.) FeCl36H2O, active carbon, 2.) 80percent N2H4H2O / 1.) ethanol, RT, 2.) RT, 10 h 3: 55 percent / K2CO3, Cu / dimethylformamide / 15 h / Heating View Scheme
Multi-step reaction with 4 steps 1: 89 percent / K2CO3 / dimethylformamide / 3.5 h / 60 °C 2: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 3: 89 percent / 4 h / Heating 4: 1.) K2CO3, 2.) 20percent ethanolic KOH / 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 6 h View Scheme
Multi-step reaction with 3 steps 1: 89 percent / K2CO3 / dimethylformamide / 3.5 h / 60 °C 2: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 3: 65 percent / 80percent NaH / xylene / 10 h / Heating View Scheme

: 7623-76-9
2-(2-bromophenolthio)-5-(methylthio)nitrobenzene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) FeCl36H2O, active carbon, 2.) 80percent N2H4H2O / 1.) ethanol, RT, 2.) RT, 10 h 2: 55 percent / K2CO3, Cu / dimethylformamide / 15 h / Heating View Scheme

: 2557-78-0
2-fluorothiophenol

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 89 percent / K2CO3 / dimethylformamide / 3.5 h / 60 °C 2: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 3: 89 percent / 4 h / Heating 4: 1.) K2CO3, 2.) 20percent ethanolic KOH / 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 6 h View Scheme
Multi-step reaction with 3 steps 1: 89 percent / K2CO3 / dimethylformamide / 3.5 h / 60 °C 2: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 3: 65 percent / 80percent NaH / xylene / 10 h / Heating View Scheme

: 6320-02-1
2-bromothiophenol

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 79 percent / NaOH / ethanol / 6 h / Heating 2: 1.) FeCl36H2O, active carbon, 2.) 80percent N2H4H2O / 1.) ethanol, RT, 2.) RT, 10 h 3: 55 percent / K2CO3, Cu / dimethylformamide / 15 h / Heating View Scheme

: 129846-82-8
2-(2-fluorophenylthio)-5-(methylthio)nitrobenzene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 2: 89 percent / 4 h / Heating 3: 1.) K2CO3, 2.) 20percent ethanolic KOH / 1.) DMF, reflux, 15 h, 2.) ethanol, reflux, 6 h View Scheme
Multi-step reaction with 2 steps 1: 99 percent / active carbon, N2H4, FeCl3*6H2O / ethanol / 10 h / Heating 2: 65 percent / 80percent NaH / xylene / 10 h / Heating View Scheme

: 1783-81-9
3-methylmercaptoaniline

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: copper-powder 3: iodine; sulfur / 160 °C View Scheme

: 101895-74-3
2-benzylsulfanyl-10H-phenothiazine

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium; butan-1-ol 2: aqueous NaOH View Scheme

: 18902-93-7
N-(3'-methylthiophenyl)anthranylic acid

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: iodine; sulfur / 160 °C View Scheme

: 16463-38-0
potassium 2-chlorobenzoate

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: copper-powder 3: iodine; sulfur / 160 °C View Scheme

: 6320-01-0
3-Bromothiophenol

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. NaOH 2: Cu, K2CO3 / 220 - 230 °C 3: sulfur, I2 / 1 h / 135 °C View Scheme

: 33733-73-2
3-bromo-1-(methylthio)benzene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cu, K2CO3 / 220 - 230 °C 2: sulfur, I2 / 1 h / 135 °C View Scheme

: 139086-07-0
N-formyl-phenothiazine-2-sulfonyl chloride

: 77-78-1
dimethyl sulfate

: 7440-66-6
zinc

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydroxide; sulfuric acid In dichloromethane; water

...Expand

: 92-84-2
10H-phenothiazine

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: Heating 2: sulfuric acid / Heating 3: zinc; acetic acid 4: potassium carbonate / acetone 5: sodium hydroxide; methanol View Scheme

: 1628-29-1
10-acetyl-10H-phenothiazine

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sulfuric acid / Heating 2: zinc; acetic acid 3: potassium carbonate / acetone 4: sodium hydroxide; methanol View Scheme

: C14H11NO4S2

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc; acetic acid 2: potassium carbonate / acetone 3: sodium hydroxide; methanol View Scheme

: C14H11NOS2

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / acetone 2: sodium hydroxide; methanol View Scheme

: 23503-69-7
1-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethanone

: 7643-08-5
2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With methanol; sodium hydroxide

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 109-70-6
1,3-chlorobromopropane

: 40256-12-0
10-(3-chloropropyl)-2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydride; potassium carbonate In tetrahydrofuran; mineral oil at 65℃; Inert atmosphere;	100%
Stage #1: 2-(methylthio)-10H-phenothiazine With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.333333h; Inert atmosphere; Stage #2: 1.3-chlorobromopropane In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;	93%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 210564-52-6
t-butyl 2-(2-bromoethyl)piperidine-1-carboxylate

: C25H32N2O2S2

Conditions

Conditions	Yield
With sodium hydride; potassium carbonate In tetrahydrofuran; mineral oil at 60℃; Inert atmosphere;	100%

: 109-65-9
1-bromo-butane

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 1353744-07-6
10-butyl-2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With potassium iodide; potassium hydroxide In dimethyl sulfoxide at 20℃; Inert atmosphere;	95%
With potassium iodide; potassium hydroxide In dimethyl sulfoxide at 20℃; for 0.0833333h;

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 75-36-5
acetyl chloride

: 23503-69-7
1-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethanone

Conditions

Conditions	Yield
In toluene at 20 - 30℃; for 1h; Temperature;	93%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 1072135-10-4
1-(10H-phenothiazin-8-yl)hydrazine

Conditions

Conditions	Yield
With hydrazine hydrate for 8h; Reflux;	82%
With hydrazine Reflux;

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 99-76-3
methyl 4-hydroxylbenzoate

: methyl 4-hydroxy-3-(2-(methylthio)-10H-phenothiazin-10-yl)benzoate

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; oxygen; 10H-phenotellurazine In 1,2-dichloro-benzene at 130℃; for 3h; Reagent/catalyst; Sealed tube;	81%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 100-07-2
4-methoxy-benzoyl chloride

: 1309924-82-0
10-(4-methoxybenzoyl)-2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
In toluene Reflux;	79%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 134356-29-9
6-(2-chloroethyl)-1-methyl-2-piperidinone

: 89929-30-6
10-<2-(1-methylpiperidin-2-on-6-yl)ethyl>-2-methylthio-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydride In toluene for 22h; Heating;	78%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 99-93-4
4-Hydroxyacetophenone

: N-(2-hydroxy-5-acetylphenyl)-2-(thiomethyl)-10H-phenothiazine

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; oxygen; 10H-phenotellurazine In 1,2-dichloro-benzene at 130℃; for 3h; Reagent/catalyst; Sealed tube;	77%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 1073-72-9
4-hydroxythioanisole

: N-(2-hydroxy-5-(thiomethyl)phenyl)-2-(thiomethyl)-10H-phenothiazine

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; oxygen; 10H-phenotellurazine In 1,2-dichloro-benzene at 130℃; for 3h; Reagent/catalyst; Sealed tube;	73%

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: methyl 4-[(2-methylthio-10H-phenothiazin-10-yl)methyl]benzoate

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	69%

: 1129-35-7
4-cyanobenzoic acid methyl ester

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 38642-74-9
10H-phenothiazine-2-carbonitrile

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(dicyclohexylphosphino)ethane In o-xylene at 140℃; for 24h; Glovebox; Inert atmosphere;	54%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

1,3-chlorohalopropane: 1,3-chlorohalopropane

: 40256-12-0
10-(3-chloropropyl)-2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 100℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere;	53%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 91-66-7
N,N-diethylaniline

: N,N-diethyl-4-(2-(methylthio)-10H-phenothiazin-10-yl)aniline

Conditions

Conditions	Yield
With tert-butylammonium hexafluorophosphate(V) In acetonitrile at 20℃; for 3h; Electrolysis;	50%

: 7643-08-5
2-(methylthio)-10H-phenothiazine

1,4-chlorohalobutane: 1,4-chlorohalobutane

: 10-(4’-chlorobutyl)-2-methylthio-10H-phenothiazine

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 100℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere;	25.6%

: 75-44-5
phosgene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 92161-48-3
2-methylsulfanyl-phenothiazine-10-carbonyl chloride

Conditions

Conditions	Yield
With benzene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 107-99-3
2-(dimethylamino)ethyl chloride

: 107273-41-6
dimethyl-[2-(2-methylsulfanyl-phenothiazin-10-yl)-ethyl]-amine

Conditions

Conditions	Yield
With sodium hydroxide; toluene
With sodium amide; xylene

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 761-21-7
1-diethylamino-2-chloropropane

: 110150-17-9
diethyl-[β-(2-methylsulfanyl-phenothiazin-10-yl)-isopropyl]-amine

Conditions

Conditions	Yield
With sodium amide; xylene
With sodium hydroxide; toluene

: 75-21-8
oxirane

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 1-(3-chloro-propyl)-4-formyl-piperazine; hydrochloride

: 75-36-5
acetyl chloride

: 103756-91-8
1-acetoxy-2-{4-[3-(2-methylsulfanyl-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethane

Conditions

Conditions	Yield
(i) NaNH2, (ii) aq. NaOH, (iii) /BRN= 102378/, MeOH, (iv) /BRN= 605303/; Multistep reaction;

...Expand

: 104-16-5
3-(N-methylpiperazinyl)propyl chloride

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 14978-58-6
10-(3-(4-methylpiperazin-1-yl)propyl)-2-(methylthio)-10H-phenothiazine

Conditions

Conditions	Yield
With sodium amide

: 39607-92-6
1-(3-chloro-2-methyl-propyl)-4-methyl-piperazine

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 106439-16-1
10-[2-methyl-3-(4-methyl-piperazin-1-yl)-propyl]-2-methylsulfanyl-10H-phenothiazine

Conditions

Conditions	Yield
With sodium amide

: 7643-08-5
2-(methylthio)-10H-phenothiazine

: 17824-40-7, 31191-78-3, 31191-79-4
trans-2-bromo-cyclopropanecarboxylic acid dimethylamide

: 47276-01-7
dimethyl-[trans-2-(2-methylsulfanyl-phenothiazin-10-yl)-cyclopropylmethyl]-amine

Conditions

Conditions	Yield
(i) NaH, DMSO, (ii) LiAlH4, Et2O; Multistep reaction;

2-Methylthiophenothiazine Specification

The 10H-Phenothiazine,2-(methylthio)- is an organic compound with the formula C₁₃H₁₁NS₂. The systematic name of this chemical is 2-(methylsulfanyl)-10H-phenothiazine. With the CAS registry number 7643-08-5 and EINECS 231-581-0, it is also named as 2-(Methylthio)-10H-phenothiazine. Additionally, this chemical should be stored in the cool and dry place.

The other characteristics of 10H-Phenothiazine,2-(methylthio)- can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2071.05; (6)ACD/BCF (pH 7.4): 2071.05; (7)ACD/KOC (pH 5.5): 8228.61; (8)ACD/KOC (pH 7.4): 8228.61; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.84 Å²; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 73.71 cm³; (15)Molar Volume: 182.5 cm³; (16)Polarizability: 29.22×10^-24 cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 208.4 °C; (20)Enthalpy of Vaporization: 67.49 kJ/mol; (21)Boiling Point: 421 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:S(c2cc1Nc3c(Sc1cc2)cccc3)C
2. InChI:InChI=1/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
3. InChIKey:OBVKBOLDEFIQDP-UHFFFAOYAV
4. Std. InChI:InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
5. Std. InChIKey:OBVKBOLDEFIQDP-UHFFFAOYSA-N

Product Name

2-Methylthiophenothiazine

Synthetic route

2-Methylthiophenothiazine Specification

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