CAS RN: 147531-11-1
diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260109 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250223 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250329 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250723 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250317 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-058141
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: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
147531-11-1 / diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate
Basic Information
CAS
147531-11-1
Multi CAS
No
Molecular Formula
C14H10F6O3S2
Molecular Weight
404.400000
Exact Mass
403.997556
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
InChIKey
YHEBUXDOUNWVNZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.59
TPSA
57.2
LogP / Solubility
WLOGP
4.29
MLOGP
3.8
XLogP3
4.29
Consensus LogP
4.13
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
-
4-(6-CHLORO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
- CAS RN: 147539-23-9
- Product Code: SSC-058143
-
1-(3-Nitro-pyridin-2-yl)-[1,4]diazepane, 98+% C10H14N4O2, MW: 222.24
- CAS RN: 147539-29-5
- Product Code: SSC-058144
-
-
Piperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)
- CAS RN: 147539-61-5
- Product Code: SSC-058149
-
5-AMINO-2-INDOLECARBOXYLIC ACID METHYL ESTER
- CAS RN: 147539-80-8
- Product Code: SSC-058150
![CAS 147539-29-5 1-(3-Nitro-pyridin-2-yl)-[1,4]diazepane, 98+% C10H14N4O2, MW: 222.24 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147539-29-5.gif)
