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2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure

CAS No:
329222-98-2
Formula:
C14H20N2S
Chemical Name:
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Synonyms:
Benzo[b]thiophene-3-carbonitrile,2-amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-;2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile;2-Amino-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile;2-Amino-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile;2-Amino-6-tert-pentyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

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2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile Basic Attributes

Molecular Weight：

248.387

Exact Mass：

248.39

HScode：

2934999090

Characteristics

PSA：

78.05000

XLogP3：

4.32428

Density：

1.11±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:248.39
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:248.13471982
Monoisotopic Mass:248.13471982
Topological Polar Surface Area:78
Heavy Atom Count:17
Complexity:330
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

SDS

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