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CAS 42908-73-6 4-Fluorophenyl Chlorothionoformate molecular structure lightbox
CAS RN: 42908-73-6

4-Fluorophenyl Chlorothionoformate

  • Product code: SSC-151207
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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: ≥98%
  • 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 42908-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

42908-73-6 / O-(4-fluorophenyl) chloromethanethioate

Standard CAS: 42908-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42908-73-6
Multi CAS
No
Molecular Formula
C7H4CLFOS
Molecular Weight
190.620000
Exact Mass
189.965542
InChI
InChI=1S/C7H4ClFOS/c8-7(11)10-6-3-1-5(9)2-4-6/h1-4H
InChIKey
HZBXSUFBKXPOAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.48
TPSA
9.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
3.4
Consensus LogP
2.84
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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