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

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

CAS No:
152402-98-7
Formula:
C14H12N4O2S
Chemical Name:
2-[[(3-Methyl-4-nitro-2-pyridinyl)methyl]thio]-1H-benzimidazole
Synonyms:
1H-Benzimidazole,2-[[(3-methyl-4-nitro-2-pyridinyl)methyl]thio]-;2-[[(3-Methyl-4-nitro-2-pyridinyl)methyl]thio]-1H-benzimidazole;2-[(3-Methyl-4-nitro-2-pyridinyl)methylthio]-1H-benzimidazole;2-[[(3-Methyl-4-nitro-2-pyridyl)methyl]thio]-1H-benzimidazole;2-[[[3-Methyl-4-nitro-2-pyridyl]methyl]thio]benzimidazole

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

Molecular Weight：

300.33600

Exact Mass：

300.34

EC Number：

460-440-8|604-848-8

DSSTox ID：

DTXSID30467026

Characteristics

PSA：

112.69000

XLogP3：

3.99000

Density：

1.448g/cm3

Melting Point：

88-93 °C @ Solvent: Ethanol

Boiling Point：

559.345ºC

Flash Point：

292.082ºC

Refractive Index：

1.719

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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.

Computed Properties

Molecular Weight:300.34
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:300.06809681
Monoisotopic Mass:300.06809681
Topological Polar Surface Area:113
Heavy Atom Count:21
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-[[(4-Nitro-3-Methyl-2-Pyridinyl)-2-Methyl]Thio]-1H-Benzimidazole

CAS No.: 152402-98-7

Content: 99.00%

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

Basic Attributes
Characteristics
Safety Information
Computed Properties
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