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4(3H)-Quinazolinethione,2-(trifluoromethyl)-

4(3H)-Quinazolinethione,2-(trifluoromethyl)- structure

CAS No:
35982-23-1
Formula:
C9H5F3N2S
Chemical Name:
4(3H)-Quinazolinethione,2-(trifluoromethyl)-
Synonyms:
4(3H)-Quinazolinethione, 2-(trifluoromethyl)-;4(1H)-Quinazolinethione, 2-(trifluoromethyl)-

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4(3H)-Quinazolinethione,2-(trifluoromethyl)- Basic Attributes

Molecular Weight：

230.21

Exact Mass：

230.01255383

Characteristics

Density：

1.50±0.1 g/cm3

Melting Point：

215-217 °C

Boiling Point：

258.5±50.0 °C(Predicted)

Water Solubility：

34.5 [ug/mL]

PKA：

-5.72±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:230.21
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:230.01255383
Monoisotopic Mass:230.01255383
Topological Polar Surface Area:56.5
Heavy Atom Count:15
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4(3H)-Quinazolinethione,2-(trifluoromethyl)-

Basic Attributes
Characteristics
Safety Information
Computed Properties

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