![CAS 2225-23-2 Ethylene Di(thiotosylate) [Protecting Reagent for Active Methylene] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e0471-jpgcontextbwfzdgvyfhjvb3r8mjc0otd8aw1hz2uvanblz3xonjkvagrjlzg5mza1mte2odm2mtqvrta0nzeuanbnfdy5mde4nwu4odrhzjmwmmuzyjg1owe0mzllode5yte2zwy5mdq1mzjiy2rlm2vkyzjjndninmvizjjkzdnlzge.jpeg)
CAS RN: 2225-23-2
Ethylene Di(thiotosylate) [Protecting Reagent for Active Methylene]
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250109 | 250mg | Out of stock | Inquiry |
- Product code: SSC-107121
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 | Shenzhen | Inquiry |
2225-23-2 / 1-methyl-4-[2-(4-methylphenyl)sulfonylsulfanylethylsulfanylsulfonyl]benzene
Basic Information
CAS
2225-23-2
Multi CAS
No
Molecular Formula
C16H18O4S4
Molecular Weight
402.600000
Exact Mass
402.008794
SMILES
CC1=CC=C(C=C1)S(=O)(=O)SCCSS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
DUFUGAKEFZRFEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
101.65
TPSA
68.28
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
3.7
Consensus LogP
3.65
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
