CAS RN: 1640084-14-5
(2-Phenylpropan-2-yloxy)(trifluoromethyl)sulfane
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-071584
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1640084-14-5 / 2-(trifluoromethylsulfanyloxy)propan-2-ylbenzene
Basic Information
CAS
1640084-14-5
Multi CAS
No
Molecular Formula
C10H11F3OS
Molecular Weight
236.260000
Exact Mass
236.048271
SMILES
CC(C)(C1=CC=CC=C1)OSC(F)(F)F
InChI
InChI=1S/C10H11F3OS/c1-9(2,14-15-10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
VYAJORZDVDXTAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.2
TPSA
9.23
LogP / Solubility
WLOGP
4.11
MLOGP
3.62
XLogP3
3.8
Consensus LogP
3.84
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
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
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