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CAS 864230-02-4 2-Fluorophenylsulfur Pentafluoride molecular structure lightbox
CAS RN: 864230-02-4

2-Fluorophenylsulfur Pentafluoride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250611 1g Out of stock Inquiry
  • Product code: SSC-195437
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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 864230-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

864230-02-4 / pentafluoro-(2-fluorophenyl)-lambda6-sulfane

Standard CAS: 864230-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864230-02-4
Multi CAS
No
Molecular Formula
C6F6H4S
Molecular Weight
222.150000
Exact Mass
221.993790
InChI
InChI=1S/C6H4F6S/c7-5-3-1-2-4-6(5)13(8,9,10,11)12/h1-4H
InChIKey
MHUHQWYOEMJKBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
37.8
TPSA
1.0000

LogP / Solubility

WLOGP
4.48
MLOGP
3.95
XLogP3
5.3
Consensus LogP
4.58
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

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

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