CAS No.37052-78-1,5-Methoxy-2-mercaptobenzimidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37052-78-1
Name:	5-Methoxy-2-mercaptobenzimidazole
Article Data:	32

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

Synthetic route

: 140-89-6
potassium ethyl xanthogenate

: 102-51-2
4-methoxy-1,2-phenylenediamine

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

Conditions	Yield
In ethanol; water for 8h; Heating;	91%
In ethanol at 80℃;

: 140-92-1
potassium isopropylxanthate

: 102-51-2
4-methoxy-1,2-phenylenediamine

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation;	90%

: 75-15-0
carbon disulfide

: 102-51-2
4-methoxy-1,2-phenylenediamine

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

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;

: 102-51-2
4-methoxy-1,2-phenylenediamine

A 2-[(3,7-Dimethyl-2,6(E)-octadienyl)thio]-5-methoxy-1H-1,3-benzimidazole Monooxalate: 2-[(3,7-Dimethyl-2,6(E)-octadienyl)thio]-5-methoxy-1H-1,3-benzimidazole Monooxalate

B: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

Conditions	Yield
With potassium hydroxide In CS2; ethanol; water	A n/a B 63%

: 75-15-0
carbon disulfide

: 5472-37-7
2'-amino-p-acetanisidide

A: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

B: 84445-85-2
1-acetyl-5-methoxybenzimidazolethiol

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 89h; Ambient temperature;	A 11.4% B 59.1%

...Expand

: 37052-80-5
6-methoxy-benzo[4,5]imidazo[2,1-b]thiazol-3-one

A: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

B: 79938-43-5
2-<(5-methoxy-2-benzimidazolyl)thio>ethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 1.3h; Heating;	A 18.4% B 37.3%

: 119-81-3
4-methoxy-2-nitroacetanilide

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

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

: 51-66-1
4-methoxyacetanilide

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

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

: 104-94-9
4-methoxy-aniline

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

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

: 96-96-8
4-methoxy-2-nitroaniline

: 37052-78-1
2-Mercapto-5-methoxybenzimidazole

Conditions

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

Raw Materials

5472-37-7

106658-14-4

51-66-1

140-89-6

75-15-0

104-94-9

140-92-1

96-96-8

Downstream Products

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Specification

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%.

2H-Benzimidazole-2-thione,1,3-dihydro-5-methoxy- can react with acetic acid anhydride to produce 1,3-bis(aceto)-5-methoxybenzimidazolin-2-thione

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