CAS RN: 18306-29-1
Bis(trimethylsilyl) Sulfate
Product Availability
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4 package records3 with current stock1 grade group
- Product code: ICTB1245
- Purity/Analytical Methods: >98.0%(T)
18306-29-1 / bis(trimethylsilyl) sulfate
Basic Information
CAS
18306-29-1
Multi CAS
No
Molecular Formula
C6H18O4SSi2
Molecular Weight
242.440000
Exact Mass
242.046433
SMILES
C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C
InChI
InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3
InChIKey
KRUQDZRWZXUUAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
57.78
TPSA
52.6
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.83
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
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501
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