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2-Benzothiazoleacetonitrile,4-methyl-(9CI)

2-Benzothiazoleacetonitrile,4-methyl-(9CI) structure

CAS No:
157764-01-7
Formula:
C10H8N2S
Chemical Name:
2-Benzothiazoleacetonitrile,4-methyl-(9CI)
Synonyms:
2-Benzothiazoleacetonitrile,4-methyl-(9CI);(4-Methyl-benzothiazol-2-yl)-acetonitrile;2-(4-Methylbenzo[d]thiazol-2-yl)acetonitrile;4-methyl-2-benzothiazoleacetonitrile

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2-Benzothiazoleacetonitrile,4-methyl-(9CI) Basic Attributes

Molecular Weight：

188.24892

Exact Mass：

188.04100

DSSTox ID：

DTXSID50612470

Characteristics

PSA：

64.92000

XLogP3：

2.67078

Density：

1.265±0.06 g/cm3(Predicted)

Boiling Point：

345.1±25.0 °C(Predicted)

Computed Properties

Molecular Weight:188.25
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.04081944
Monoisotopic Mass:188.04081944
Topological Polar Surface Area:64.9
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Benzothiazoleacetonitrile,4-methyl-(9CI)

Basic Attributes
Characteristics
Computed Properties

2-Benzothiazoleacetonitrile,4-methyl-(9CI)

SDS

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