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4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE

4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE structure

CAS No:
91397-03-4
Formula:
C12H11N3OS
Chemical Name:
4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE

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4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE Basic Attributes

Molecular Weight：

245.30000

Exact Mass：

245.06200

DSSTox ID：

DTXSID10347170

HScode：

2933199090

Characteristics

PSA：

71.38000

XLogP3：

2.21870

Density：

1.23g/cm3

Boiling Point：

366.4ºC at 760 mmHg

Flash Point：

175.4ºC

Refractive Index：

1.636

Computed Properties

Molecular Weight:245.30
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:245.06228316
Monoisotopic Mass:245.06228316
Topological Polar Surface Area:68
Heavy Atom Count:17
Complexity:406
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE

Basic Attributes
Characteristics
Computed Properties

4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE

SDS

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