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CAS 125662-42-2 Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate molecular structure lightbox
CAS RN: 125662-42-2

Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250122 1g Out of stock Inquiry
Batchno.20250814 5g Out of stock Inquiry
  • Product code: SSC-030562
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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: 5g
  • 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 125662-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

125662-42-2 / benzyl-(4-hydroxyphenyl)-methylsulfanium;hexafluoroantimony(1-)

Standard CAS: 125662-42-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125662-42-2
Multi CAS
No
Molecular Formula
C14H15F6OSSb
Molecular Weight
467.090000
Exact Mass
465.978590
SMILES
C[S+](CC1=CC=CC=C1)C2=CC=C(C=C2)O.F[Sb-](F)(F)(F)(F)F
InChI
InChI=1S/C14H14OS.6FH.Sb/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14;;;;;;;/h2-10H,11H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKey
KNSKAMFDGOYVBE-UHFFFAOYSA-I

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
82.21
TPSA
20.23

LogP / Solubility

WLOGP
5.34
MLOGP
4.73
XLogP3
5.34
Consensus LogP
5.14
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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