![CAS 110675-26-8 2,4-Bis[(dodecylthio)methyl]-6-methylphenol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6016-jpgcontextbwfzdgvyfhjvb3r8mjk4mzd8aw1hz2uvanblz3xommivaduxlzg5mjkymjy5ode0mdyvqjywmtyuanbnfdu4ngvhmda1zdhhnjk0yjk2nteymzq0ogiyyzvjnze0mdi1njixy2i2mtzkyzqxngzkywq0othiztlmzji0mdm.jpeg)
CAS RN: 110675-26-8
2,4-Bis[(dodecylthio)methyl]-6-methylphenol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-011650
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
110675-26-8 / 2,4-bis(dodecylsulfanylmethyl)-6-methylphenol
2,4-bis[(dodecylthio)methyl]-6-methylphenol | 2,4-Bis((dodecylthio)methyl)-6-methylphenol | Irganox 1726
Basic Information
CAS
110675-26-8
Multi CAS
No
Molecular Formula
C33H60OS2
Molecular Weight
537.000000
Exact Mass
536.408559
SMILES
CCCCCCCCCCCCSCC1=CC(=C(C(=C1)C)O)CSCCCCCCCCCCCC
InChI
InChI=1S/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3
InChIKey
VTFXHGBOGGGYDO-UHFFFAOYSA-N
Synonyms
2,4-bis[(dodecylthio)methyl]-6-methylphenol
2,4-Bis((dodecylthio)methyl)-6-methylphenol
Irganox 1726
UNII-HUC0447MPD
HUC0447MPD
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
26
H-bond acceptors
3
H-bond donors
1
Molar refractivity
168.86
TPSA
20.23
LogP / Solubility
WLOGP
12.01
MLOGP
10.61
XLogP3
14
Consensus LogP
12.21
Log S (ESOL)
-9.14
Class (ESOL)
Insoluble
Log S (Ali)
-12.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 109 of 113 companies (only 3.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 7 of 7 companies. For more detailed information, please visit ECHA C&L website.
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