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1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) structure

CAS No:
851477-20-8
Formula:
C17H21F6N3S
Chemical Name:
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
Synonyms:
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC);1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea (S,S-TUC);1-[3,5-Bis(trifluoroMethyl)phenyl]-3-[(1S,2S)-2-(diMethylaMino)cyclohexyl]thiourea;Thiourea, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2S)-2-(diMethylaMino)cyclohexyl]-;1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea,99%e.e.

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1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) Basic Attributes

Molecular Weight：

413.428

Exact Mass：

413.13600

Characteristics

PSA：

59.4

XLogP3：

4.7

Appearance：

white Powder

Density：

1.33±0.1 g/cm3(Predicted)

Melting Point：

87-88°C

Specific rotation：

+42° (c 1.16, CHCl3)

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:413.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:413.13603783
Monoisotopic Mass:413.13603783
Topological Polar Surface Area:59.4
Heavy Atom Count:27
Complexity:486
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)

SDS

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