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: 1ml
- 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 |
|---|---|---|---|---|
| 1ml | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
4712-51-0 / trimethyl(trimethylsilylmethylsulfanylmethyl)silane
Basic Information
CAS
4712-51-0
Multi CAS
No
Molecular Formula
C8H22SSi2
Molecular Weight
206.500000
Exact Mass
206.098075
InChI
InChI=1S/C8H22SSi2/c1-10(2,3)7-9-8-11(4,5)6/h7-8H2,1-6H3
InChIKey
GISUCMFTNKRCPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
64.02
TPSA
25.3000
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.47
Consensus LogP
3.33
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-1.51
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
