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4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide

4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide structure

CAS No:
58197-04-9
Formula:
C10H9N3OS
Chemical Name:
4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide
Synonyms:
1H-Pyrazole-1-carbothioamide,4,5-dihydro-5-oxo-3-phenyl-;4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide;NSC 119927

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4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide Basic Attributes

Molecular Weight：

219.26300

Exact Mass：

219.26

NSC Number：

119927

DSSTox ID：

DTXSID40369108

HScode：

2933199090

Characteristics

PSA：

90.78000

XLogP3：

0.94040

Density：

1.41g/cm3

Melting Point：

161 °C

Boiling Point：

366.4ºC

Flash Point：

175.4ºC

Refractive Index：

1.712

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:219.27
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.04663309
Monoisotopic Mass:219.04663309
Topological Polar Surface Area:90.8
Heavy Atom Count:15
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazole-1-carbothioamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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