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

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

CAS No:
620960-26-1
Formula:
C17H21F6N3S
Chemical Name:
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC)
Synonyms:
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC);1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC);1-[3,5-Bis(trifluoroMethyl)phenyl]-3-[(1R,2R)-2-(diMethylaMino)cyclohexyl]thiourea;Thiourea, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(diMethylaMino)cyclohexyl]-;1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea,99%e.e.

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

Boiling Point：

380.8±52.0°C at 760 mmHg

Specific rotation：

-42° (c 1.05, 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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

CAS No.: 620960-26-1

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

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC)

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