N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea

Name: N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea
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CAS No. 1027476-96-5
Cat. No. CS-0092771
Purity≥95%
MDL No.None

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N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea|CS-0092771

Structure of 1027476-96-5

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Description

N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea features a chiral cyclohexylamine scaffold paired with a highly electron-deficient aryl thiourea moiety. This combination enables robust coordination in asymmetric catalysis and provides enhanced stability under oxidative conditions. The trifluoromethyl groups confer strong lipophilicity and resistance to metabolic degradation.

Application

N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea serves as a versatile bifunctional building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via cyclization reactions. The thiourea moiety facilitates hydrogen bonding and enhances solubility, while the sterically defined cyclohexyl amine and electron-deficient aryl groups provide robust functional group tolerance. Its bench-stable crystalline form simplifies handling and purification in multi-step synthesis workflows.

General Information

CAS No. 1027476-96-5
Cat. No. CS-0092771
Purity ≥95%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₇F₆N₃S
Molecular Weight 385.37
Synonym(s) N-[(1S,2S)-2-aMinocyclohexyl]-N'-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea
SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2CCCC[C@@H]2N

Computational Chemistry Data

TPSA 50.08
LogP 4.2805
H_Acceptors 2
H_Donors 3
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H413
Precautionary Statements : P264-P270-P330

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N-[(1S,2S)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea

CAS No. 1027476-96-5

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