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N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea

N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea structure

CAS No:
871828-95-4
Formula:
C18H14F6N2OS
Chemical Name:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea
Synonyms:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea;1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2S)-2,3- dihydro-2-hydroxy-1H-inden-1-yl]thiourea,99%e.e.;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]thiourea, 95%, (99% ee);Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-

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N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea Basic Attributes

Molecular Weight：

420.37

Exact Mass：

420.07310322

DSSTox ID：

DTXSID50469325

Characteristics

PSA：

83.42000

XLogP3：

5.28030

Density：

1.51±0.1 g/cm3

Melting Point：

148 °C

Boiling Point：

432.8±55.0 °C(Predicted)

PKA：

11.60±0.70

Computed Properties

Molecular Weight:420.4
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:420.07310322
Monoisotopic Mass:420.07310322
Topological Polar Surface Area:76.4
Heavy Atom Count:28
Complexity:547
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2-naphthol reacting with naoh formula; calcium sulfate formula; formula aluminium hydroxide; acetylene formula; nf3 compound name; density of cyclooctene

Guide of N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea

Basic Attributes
Characteristics
Computed Properties

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