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CAS No.: | 37052-78-1 |
---|---|
Name: | 5-Methoxy-2-mercaptobenzimidazole |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C8H8N2OS |
Molecular Weight: | 180.23 |
Synonyms: | 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione;2-Mercapto-5-methoxy-1H-benzimidazole;2-Mercapto-5-methoxybenzimidazole;5-Methoxy-1H-benzimidazole-2-thiol;5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione;5-Methoxy-1H-benzoimidazole-2-thiol;5-Methoxy-2-benzimidazolethiol;5-methoxy-1H-benzimidazole-2-thiol;5-methoxy-1H-benzo[d]imidazole-2-thiol;1H-benzimidazole-2-thiol, 5-methoxy-;2H-benzimidazole-2-thione, 1,3-dihydro-5-methoxy-; |
EINECS: | 253-326-2 |
Density: | 1.38 g/cm3 |
Melting Point: | 255 °C |
Boiling Point: | 309.4 °C at 760 mmHg |
Flash Point: | 140.9 °C |
Solubility: | Insoluble in water |
Appearance: | off-white to light yellowish-brown powder |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 26-36 |
PSA: | 72.90000 |
LogP: | 2.23410 |
potassium ethyl xanthogenate
4-methoxy-1,2-phenylenediamine
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
In ethanol; water for 8h; Heating; | 91% |
In ethanol at 80℃; |
potassium isopropylxanthate
4-methoxy-1,2-phenylenediamine
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation; | 90% |
carbon disulfide
4-methoxy-1,2-phenylenediamine
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
With hydrogenchloride; potassium hydroxide In ethanol | 72% |
With potassium hydroxide In ethanol; water for 6h; Heating; | 40% |
With potassium hydroxide In ethanol for 3h; Heating; | |
With potassium hydroxide In ethanol for 8h; Reflux; | |
In ethanol at 60℃; for 5h; |
Conditions | Yield |
---|---|
With potassium hydroxide In CS2; ethanol; water | A n/a B 63% |
carbon disulfide
2'-amino-p-acetanisidide
A
2-Mercapto-5-methoxybenzimidazole
B
1-acetyl-5-methoxybenzimidazolethiol
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 89h; Ambient temperature; | A 11.4% B 59.1% |
6-methoxy-benzo[4,5]imidazo[2,1-b]thiazol-3-one
A
2-Mercapto-5-methoxybenzimidazole
B
2-<(5-methoxy-2-benzimidazolyl)thio>ethanol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 1.3h; Heating; | A 18.4% B 37.3% |
4-methoxy-2-nitroacetanilide
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Na2S*9H2O / 6 h / Heating 2: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: 99 percent / NaOH; KOH / H2O / 0.5 h / Heating 2: 96 percent / Na2S*9H2O / H2O / 6 h / Heating 3: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: H2 / 5percent Pd/C 2: 11.4 percent / dimethylformamide / 89 h / Ambient temperature View Scheme |
4-methoxyacetanilide
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 91 percent / nitric acid; sulfuric acid / 0 - 5 °C 2: Na2S*9H2O / 6 h / Heating 3: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme | |
Multi-step reaction with 4 steps 1: 91 percent / nitric acid; sulfuric acid / 0 - 5 °C 2: 99 percent / NaOH; KOH / H2O / 0.5 h / Heating 3: 96 percent / Na2S*9H2O / H2O / 6 h / Heating 4: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme |
4-methoxy-aniline
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 85 percent / acetic acid / 2 h / 110 °C 2: 91 percent / nitric acid; sulfuric acid / 0 - 5 °C 3: Na2S*9H2O / 6 h / Heating 4: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme | |
Multi-step reaction with 5 steps 1: 85 percent / acetic acid / 2 h / 110 °C 2: 91 percent / nitric acid; sulfuric acid / 0 - 5 °C 3: 99 percent / NaOH; KOH / H2O / 0.5 h / Heating 4: 96 percent / Na2S*9H2O / H2O / 6 h / Heating 5: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme |
4-methoxy-2-nitroaniline
2-Mercapto-5-methoxybenzimidazole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 96 percent / Na2S*9H2O / H2O / 6 h / Heating 2: 40 percent / potassium hydroxide / ethanol; H2O / 6 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: hydrazine hydrate / ethanol / 80 °C 2: ethanol / 80 °C View Scheme |
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The 2H-Benzimidazole-2-thione,1,3-dihydro-5-methoxy-, with the CAS registry number 37052-78-1 and EINECS registry number 253-326-2, has the systematic name of 5-methoxy-1H-benzimidazole-2-thiol. It is a kind of off-white to light yellowish-brown powder, and belongs to the following product categories: Benzimidazole; Building blocks; Imidazol & Benzimidazole; (Intermediate of omeprazole); Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Besides, it is sensitive to air, and insoluble in water. The molecular formula of this chemical is C8H8N2OS.
The physical properties of 2H-Benzimidazole-2-thione,1,3-dihydro-5-methoxy- are as following: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.93; (6)ACD/BCF (pH 7.4): 16.88; (7)ACD/KOC (pH 5.5): 263.68; (8)ACD/KOC (pH 7.4): 262.87; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.8 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 50.11 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 140.9 °C; (20)Enthalpy of Vaporization: 55.01 kJ/mol; (21)Boiling Point: 309.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000641 mmHg at 25°C.
Uses of 2H-Benzimidazole-2-thione,1,3-dihydro-5-methoxy-: It can react with acetic acid anhydride to produce 1,3-bis(aceto)-5-methoxybenzimidazolin-2-thione. The reaction time is 1 hour with heating, and the yield is about 50%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Nc1ccc(OC)cc1N2
(2)InChI: InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
(3)InChIKey: KOFBRZWVWJCLGM-UHFFFAOYAA