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2-Thiazolepropanenitrile,-bta--oxo-

2-Thiazolepropanenitrile,-bta--oxo- structure

CAS No:
314268-27-4
Formula:
C6H4N2OS
Chemical Name:
2-Thiazolepropanenitrile,-bta--oxo-
Synonyms:
2-Thiazolepropanenitrile, -bta--oxo-;3-Oxo-3-thiazol-2-yl-propionitrile;β-Oxo-2-thiazolepropanenitrile;2-Thiazolepropanenitrile, β-oxo-;β-Oxo-2-thiazolepropanenitrile

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2-Thiazolepropanenitrile,-bta--oxo- Basic Attributes

Molecular Weight：

152.17

Exact Mass：

152.00443393

DSSTox ID：

DTXSID40594332

Characteristics

Density：

1.340±0.06 g/cm3

Boiling Point：

316.1±44.0 °C(Predicted)

PKA：

5.73±0.10

2-Thiazolepropanenitrile,-bta--oxo- Use and Manufacturing

As a thiazole derivative, 3-Oxo-3-thiazol-2-yl-propionitrile can be used in the preparation of enzyme modulators.

Computed Properties

Molecular Weight:152.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:152.00443393
Monoisotopic Mass:152.00443393
Topological Polar Surface Area:82
Heavy Atom Count:10
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Thiazolepropanenitrile,-bta--oxo-

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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