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CAS 208186-71-4 4-BROMO-2-(TRIFLUOROMETHYL)PHENYLTHIOUREA molecular structure lightbox
CAS RN: 208186-71-4

4-BROMO-2-(TRIFLUOROMETHYL)PHENYLTHIOUREA

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260320 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS208186-71-4
  • Purity/Analytical Methods: >99.0%
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208186-71-4 / [4-bromo-2-(trifluoromethyl)phenyl]thiourea

Standard CAS: 208186-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208186-71-4
Multi CAS
No
Molecular Formula
C8H6BrF3N2S
Molecular Weight
299.110000
Exact Mass
297.938720
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)NC(=S)N
InChI
InChI=1S/C8H6BrF3N2S/c9-4-1-2-6(14-7(13)15)5(3-4)8(10,11)12/h1-3H,(H3,13,14,15)
InChIKey
HXTGSKARZANHPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
59.55
TPSA
38.05

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
2.1
Consensus LogP
2.66
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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