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2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole

2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole structure

CAS No:
34970-42-8
Formula:
C12H13N3O2S
Chemical Name:
2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole
Synonyms:
2-benzylsulfanylmethyl-1-methyl-5-nitro-1H-imidazole;

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2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole Basic Attributes

Molecular Weight：

263.31600

Exact Mass：

263.07284784 g/mol

DSSTox ID：

DTXSID60188515

HScode：

2933290090

Characteristics

PSA：

88.94000

XLogP3：

3.28490

Density：

1.29g/cm3

Boiling Point：

455.1ºC

Flash Point：

229.1ºC

Refractive Index：

1.637

Computed Properties

Molecular Weight:263.32
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:263.07284784
Monoisotopic Mass:263.07284784
Topological Polar Surface Area:88.9
Heavy Atom Count:18
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole

Basic Attributes
Characteristics
Computed Properties

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