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CAS 1895006-01-5 Dimesityl(trifluoromethyl)sulfonium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 1895006-01-5

Dimesityl(trifluoromethyl)sulfonium Trifluoromethanesulfonate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 1g / 5g / 25g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250817 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251012 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260320 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250810 25g In stock Shanghai Inquiry
Batchno.20260118 5g In stock Shanghai Inquiry
  • Product code: SSC-088622
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1895006-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1895006-01-5 / trifluoromethanesulfonate;trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium

Standard CAS: 1895006-01-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1895006-01-5
Multi CAS
No
Molecular Formula
C20H22F6O3S2
Molecular Weight
488.500000
Exact Mass
488.091456
SMILES
CC1=CC(=C(C(=C1)C)[S+](C2=C(C=C(C=C2C)C)C)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C19H22F3S.CHF3O3S/c1-11-7-13(3)17(14(4)8-11)23(19(20,21)22)18-15(5)9-12(2)10-16(18)6;2-1(3,4)8(5,6)7/h7-10H,1-6H3;(H,5,6,7)/q+1;/p-1
InChIKey
HAYTWACXJNSBRL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
107.01
TPSA
57.2

LogP / Solubility

WLOGP
6.14
MLOGP
5.44
XLogP3
6.14
Consensus LogP
5.91
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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