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2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile

2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile structure

CAS No:
77952-79-5
Formula:
C13H12N4O2S
Chemical Name:
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile
Synonyms:
ACETONITRILE, ((1-BENZYL-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-;77952-79-5;((1-Benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile;BRN 5109972;[(1-Benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio]acetonitrile;Oprea1_588179;Oprea1_848838;DTXSID40228620;ZINC2033248;STL323300;AKOS000545329;MCULE-4738334625;SR-01000314613;SR-01000314613-1;[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetonitrile

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2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile Basic Attributes

Molecular Weight：

288.33 g/mol

Exact Mass：

288.06809681 g/mol

DSSTox ID：

DTXSID40228620

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:288.33
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:288.06809681
Monoisotopic Mass:288.06809681
Topological Polar Surface Area:113
Heavy Atom Count:20
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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