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3,5-Bis(trifluoromethyl)benzenecarbothioamide

3,5-Bis(trifluoromethyl)benzenecarbothioamide structure

CAS No:
317319-15-6
Formula:
C9H5F6NS
Chemical Name:
3,5-Bis(trifluoromethyl)benzenecarbothioamide
Synonyms:
Benzenecarbothioamide,3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzenecarbothioamide;3,5-Bis(trifluoromethyl)benzothioamide;3,5-Di(trifluoromethyl)benzene-1-carbothioamide;3,5-Bis(trifluoromethyl)benzene-1-carbothioamide

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3,5-Bis(trifluoromethyl)benzenecarbothioamide Basic Attributes

Molecular Weight：

273.2

Exact Mass：

273.20

DSSTox ID：

DTXSID30384527

Characteristics

Density：

1.492±0.06 g/cm3

Melting Point：

113-115°C

Boiling Point：

241.2±50.0 °C(Predicted)

PKA：

11.95±0.29

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:273.20
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:273.00468931
Monoisotopic Mass:273.00468931
Topological Polar Surface Area:58.1
Heavy Atom Count:17
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Bis(trifluoromethyl)benzenecarbothioamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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