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2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole

2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole structure

CAS No:
103312-62-5
Formula:
C14H12ClN3S
Chemical Name:
2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole
Synonyms:
1H-Benzimidazole,2-[[(4-chloro-3-methyl-2-pyridinyl)methyl]thio]-;2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole;2-[(4-Chloro-3-Methyl-2-pyridinyl)methylthio]-1H-benzimidazole;2-[[(4-Chloro-3-methyl-2-pyridyl)methyl]thio]-1H-benzimidazole;2-[(4-Chloro-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole;2-(((4-Chloro-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole

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Description

Off-White Solid

2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole Basic Attributes

Molecular Weight：

289.78318

Exact Mass：

289.78

EC Number：

600-417-3

DSSTox ID：

DTXSID80468008

HScode：

2933990090

Characteristics

PSA：

66.9

XLogP3：

4.21200

Density：

1.40±0.1 g/cm3(Predicted)

Melting Point：

155-159 °C @ Solvent: Ethanol

Boiling Point：

495.4±55.0 °C(Predicted)

Refractive Index：

1.707

Vapor Pressure：

0mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole Use and Manufacturing

A process impurity of Rabeprazole (R070500).

Computed Properties

Molecular Weight:289.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:289.0440463
Monoisotopic Mass:289.0440463
Topological Polar Surface Area:66.9
Heavy Atom Count:19
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole

SDS

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