CAS No.2527-58-4,2,2'-dithiobis[N-methylbenzamide] Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2527-58-4
Name:	2,2'-dithiobis[N-methylbenzamide]
Article Data:	18

Formula:	C₁₆H₁₆N₂O₂S₂
Molecular Weight:	332.447
Synonyms:	Densil P;Dithio-2,2'-bis(N-methylbenzamide);
EINECS:	219-768-5
Density:	1.31 g/cm³
Melting Point:	217-219℃
Boiling Point:	545.9 °C at 760 mmHg
Flash Point:	283.9 °C
PSA:	108.80000
LogP:	3.98700

Synthetic route

: 19602-82-5
2,2'-dithiodibenzoic acid dichloride

: 74-89-5
methylamine

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 16h;	96%
In tetrahydrofuran at 0 - 20℃; for 11h; pH=9 - 10;	75%
In tetrahydrofuran at 0 - 20℃; for 16.6667h;	65%

: 19602-82-5
2,2'-dithiodibenzoic acid dichloride

: 593-51-1
methylamine hydrochloride

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	75%

: 61436-88-2
2-bromo-N-methylbenzamide

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
With sodium sulfide hydrate; copper(l) chloride In 1-methyl-pyrrolidin-2-one; ethylene glycol at 70 - 100℃; for 6h;	69.8%

: 1677-27-6
3H-1,2-benzodithiol-3-one

: 74-89-5
methylamine

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
With ethanol

: 119-80-2
2,2'-dithiobenzoic acid

: 74-89-5
methylamine

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
(i) SOCl2, dioxane, (ii) /BRN= 741851/; Multistep reaction;

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

: 64-17-5
ethanol

: 7783-06-4
hydrogen sulfide

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
at 50℃;

...Expand

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

sulfur dioxide: sulfur dioxide

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
at 20℃;

2-methyl-α.β-benzisothiazolone: 2-methyl-α.β-benzisothiazolone

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
With ethanol; hydrogen sulfide at 50℃;
With ethanol; sulfur dioxide

: 119-80-2
2,2'-dithiobenzoic acid

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2 / 1 h / Heating 2: 147 g / benzene; tetrahydrofuran / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / Reflux 2: dichloromethane / 0.5 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / N,N-dimethyl-formamide / 4 h / Reflux 2: tetrahydrofuran / 11 h / 0 - 20 °C / pH 9 - 10 View Scheme
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 42 h / 20 - 50 °C 2: tetrahydrofuran / 16 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide; thionyl chloride / toluene / 20 h / 82 °C 2: tetrahydrofuran / 16.67 h / 0 - 20 °C View Scheme

: 74-89-5
methylamine

: 4892-02-8
Methyl thiosalicylate

: 2527-58-4
2,2'-dithiobis(N-methylbenzamide)

Conditions

Conditions	Yield
In methanol; ethanol at 0 - 21℃; for 17h;	4.56 g

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- China (Mainland)(85)
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Specification

This chemical is called Benzamide, 2,2'-dithiobis(N-methyl-, and its systematic name is 2,2'-disulfanediylbis(N-methylbenzamide). With the molecular formula of C₁₆H₁₆N₂O₂S₂, its molecular weight is 199.29. The CAS registry number of this chemical is 2527-58-4.

Other characteristics of the Benzamide, 2,2'-dithiobis(N-methyl- can be summarised as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.96; (6)ACD/BCF (pH 7.4): 22.96; (7)ACD/KOC (pH 5.5): 327.96; (8)ACD/KOC (pH 7.4): 327.96; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 91.22 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 93.53 cm³; (15)Molar Volume: 252.1 cm³; (16)Polarizability: 37.08×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 283.9 °C; (20)Enthalpy of Vaporization: 82.48 kJ/mol; (21)Boiling Point: 545.9 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-12 mmHg at 25°C.

Uses of this chemical: The 2-mercapto-N-methyl-benzamide could be obtained by the reactant of Benzamide, 2,2'-dithiobis(N-methyl-. This reaction needs the reagent of Zn, aq. HCl.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC)c2c(SSc1ccccc1C(=O)NC)cccc2
2.InChI: InChI=1/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
3.InChIKey: JEVCLNJEBFWVPD-UHFFFAOYAL