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CAS 942473-86-1 4-bromo-3-fluorobenzenethiol molecular structure lightbox
CAS RN: 942473-86-1

4-bromo-3-fluorobenzenethiol

  • Product code: SSC-208895
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 942473-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

942473-86-1 / 4-bromo-3-fluorobenzenethiol

Standard CAS: 942473-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942473-86-1
Multi CAS
No
Molecular Formula
BC6H4RfS
Molecular Weight
207.070000
Exact Mass
205.920110
InChI
InChI=1S/C6H4BrFS/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
QWSUMJXRROQYPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.35
TPSA
1.0000

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

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