![CAS 960203-41-2 1-[(2-Bromophenyl)thio]-2,4-dimethylbenzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/960203-41-2.gif)
CAS RN: 960203-41-2
1-[(2-Bromophenyl)thio]-2,4-dimethylbenzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-211830
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: 5g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
960203-41-2 / 1-(2-bromophenyl)sulfanyl-2,4-dimethylbenzene
Basic Information
CAS
960203-41-2
Multi CAS
No
Molecular Formula
C14H13BRS
Molecular Weight
293.220000
Exact Mass
291.992130
InChI
InChI=1S/C14H13BrS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,1-2H3
InChIKey
FGTISJUBEGSYIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
74.18
TPSA
25.3000
LogP / Solubility
WLOGP
5.22
MLOGP
4.6
XLogP3
5.4
Consensus LogP
5.07
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.8
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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