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1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione

1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione structure

CAS No:
13083-37-9
Formula:
C14H13N3S
Chemical Name:
1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione
Synonyms:
2H-Benzimidazole-2-thione,1,3-dihydro-1-[2-(4-pyridinyl)ethyl]-;2-Benzimidazolethiol,1-[2-(4-pyridyl)ethyl]-;1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione;2-Mercapto-1-(β-4-pyridethyl)benzimidazole;2-Mercapto-1-[β-(4-pyridyl)ethyl]benzimidazole;2-Mercapto-1-[2-(4-pyridyl)ethyl]benzimidazole;Mercaptopyridethyl benzimidazole;NSC 112742;1-[2-(Pyridin-4-yl)ethyl]-1H-1,3-benzodiazole-2-thiol

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1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione Basic Attributes

Molecular Weight：

255.33800

Exact Mass：

255.34

NSC Number：

112742

DSSTox ID：

DTXSID90156762

Characteristics

PSA：

65.70000

XLogP3：

3.33660

Density：

1.32g/cm3

Boiling Point：

442ºC

Flash Point：

220ºC

Refractive Index：

1.715

Vapor Pressure：

6.02E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

2-mercapto-1-(beta-4-pyridethyl)benzimidazole

Computed Properties

Molecular Weight:255.34
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:255.08301860
Monoisotopic Mass:255.08301860
Topological Polar Surface Area:60.2
Heavy Atom Count:18
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Dihydro-1-[2-(4-pyridinyl)ethyl]-2H-benzimidazole-2-thione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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