CAS RN: 421-82-9
(Trifluoromethanesulfonyl)methane
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.20260608 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS421-82-9
- Purity/Analytical Methods: >99.0%
421-82-9 / trifluoro(methylsulfonyl)methane
Basic Information
CAS
421-82-9
Multi CAS
No
Molecular Formula
C2F3H3O2S
Molecular Weight
148.110000
Exact Mass
147.980585
InChI
InChI=1S/C2H3F3O2S/c1-8(6,7)2(3,4)5/h1H3
InChIKey
ARUIMKUOHIINGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
20.9
TPSA
34.14
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.8
Consensus LogP
0.61
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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