CAS RN: 134708-14-8
TRIS(4-TERT-BUTYLPHENYL)SULFONIUM
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 50mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS134708-14-8
- Purity/Analytical Methods: >99.0%
134708-14-8 / trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium
Basic Information
CAS
134708-14-8
Multi CAS
No
Molecular Formula
C31H39F3O3S2
Molecular Weight
580.800000
Exact Mass
580.229272
SMILES
CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C30H39S.CHF3O3S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;2-1(3,4)8(5,6)7/h10-21H,1-9H3;(H,5,6,7)/q+1;/p-1
InChIKey
HHMQUQRJNPTPAJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
153.34
TPSA
57.2
LogP / Solubility
WLOGP
8.73
MLOGP
7.72
XLogP3
8.73
Consensus LogP
8.39
Log S (ESOL)
-9.08
Class (ESOL)
Insoluble
Log S (Ali)
-10.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 134796-34-2 3-[(4-CHLOROBENZYL)THIO]-1H-1,2,4-TRIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134796-34-2.gif)