Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Dithio-2,2'-bis(N-methylbenzamide) |
EINECS | 219-768-5 |
CAS No. | 2527-58-4 | Density | 1.31 g/cm3 |
PSA | 108.80000 | LogP | 3.98700 |
Solubility | N/A | Melting Point |
217-219℃ |
Formula | C16H16N2O2S2 | Boiling Point | 545.9 °C at 760 mmHg |
Molecular Weight | 332.447 | Flash Point | 283.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Densil P;Dithio-2,2'-bis(N-methylbenzamide); |
Article Data | 18 |
2,2'-dithiodibenzoic acid dichloride
methylamine
2,2'-dithiobis(N-methylbenzamide)
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% |
2,2'-dithiodibenzoic acid dichloride
methylamine hydrochloride
2,2'-dithiobis(N-methylbenzamide)
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 75% |
2-bromo-N-methylbenzamide
2,2'-dithiobis(N-methylbenzamide)
Conditions | Yield |
---|---|
With sodium sulfide hydrate; copper(l) chloride In 1-methyl-pyrrolidin-2-one; ethylene glycol at 70 - 100℃; for 6h; | 69.8% |
Conditions | Yield |
---|---|
With ethanol |
Conditions | Yield |
---|---|
(i) SOCl2, dioxane, (ii) /BRN= 741851/; Multistep reaction; |
2-methyl-1,2-benzisothiazole-3(2H)-one
ethanol
hydrogen sulfide
2,2'-dithiobis(N-methylbenzamide)
Conditions | Yield |
---|---|
at 50℃; |
Conditions | Yield |
---|---|
at 20℃; |
2,2'-dithiobis(N-methylbenzamide)
Conditions | Yield |
---|---|
With ethanol; hydrogen sulfide at 50℃; | |
With ethanol; sulfur dioxide |
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 |
Conditions | Yield |
---|---|
In methanol; ethanol at 0 - 21℃; for 17h; | 4.56 g |
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