CAS RN: 66476-44-6
N-Methyl-N-(trifluoromethylthio)aniline
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-176168
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: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
66476-44-6 / N-methyl-N-(trifluoromethylsulfanyl)aniline
Basic Information
CAS
66476-44-6
Multi CAS
No
Molecular Formula
C8F3H8NS
Molecular Weight
207.220000
Exact Mass
207.032955
InChI
InChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
TYFGNILTFVMYGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.49
TPSA
3.24
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.7
Consensus LogP
3.3
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
N-Methyl-N-[(trifluoromethyl)thio]-p-toluenesulfonamide
- CAS RN: 1045822-31-8
- Product Code: SSC-006349
-
-
-
-
![CAS 1045822-31-8 N-Methyl-N-[(trifluoromethyl)thio]-p-toluenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2782-jpgcontextbwfzdgvyfhjvb3r8mzcwnzl8aw1hz2uvanblz3xomdmvaguzlzg5mze2mde2mti4mzavtti3odiuanbnfdy3ognjnte3otm2nzcyotk0zde5ogu5mjgyy2y3yti0mjfmmmmwymfiyjdizjnlmtqwmjbhzdbjnweyzmy4otg.jpeg)
