CAS RN: 1219607-83-6
(R,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide
- Product code: SSC-024797
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, 0.1g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
1219607-83-6 / (R)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide
Basic Information
CAS
1219607-83-6
Multi CAS
No
Molecular Formula
C6H10F3NOS
Molecular Weight
201.210000
Exact Mass
201.043520
SMILES
CC(C)(C)[S@@](=O)N=CC(F)(F)F
InChI
InChI=1S/C6H10F3NOS/c1-5(2,3)12(11)10-4-6(7,8)9/h4H,1-3H3/t12-/m1/s1
InChIKey
PLTNZADFUQGXSR-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
42.44
TPSA
29.43
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-2.47
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
2
Safety & Transport
Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
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