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CAS 141651-31-2 (4-Hydroxyphenyl)methyl(2-methylbenzyl)sulfonium Hexafluoroantimonate molecular structure lightbox
CAS RN: 141651-31-2

(4-Hydroxyphenyl)methyl(2-methylbenzyl)sulfonium Hexafluoroantimonate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 1g Out of stock Inquiry
Batchno.20260126 25g Out of stock Inquiry
Batchno.20250907 5g Out of stock Inquiry
  • Product code: SSC-052164
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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 141651-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

141651-31-2 / hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium

Standard CAS: 141651-31-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141651-31-2
Multi CAS
No
Molecular Formula
C15H17F6OSSb
Molecular Weight
481.100000
Exact Mass
479.994240
SMILES
CC1=CC=CC=C1C[S+](C)C2=CC=C(C=C2)O.F[Sb-](F)(F)(F)(F)F
InChI
InChI=1S/C15H16OS.6FH.Sb/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15;;;;;;;/h3-10H,11H2,1-2H3;6*1H;/q;;;;;;;+5/p-5
InChIKey
JAXDCSWYKUDLEP-UHFFFAOYSA-I

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.95
TPSA
20.23

LogP / Solubility

WLOGP
5.65
MLOGP
5
XLogP3
5.65
Consensus LogP
5.43
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.64

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
3

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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