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CAS 22515-25-9 4-TRIMETHYLSILYL-THIOANISOLE molecular structure lightbox
CAS RN: 22515-25-9

4-TRIMETHYLSILYL-THIOANISOLE

  • Product code: SSC-110096
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22515-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

22515-25-9 / trimethyl-(4-methylsulfanylphenyl)silane

Standard CAS: 22515-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22515-25-9
Multi CAS
No
Molecular Formula
C10H16SSi
Molecular Weight
196.390000
Exact Mass
196.074198
SMILES
C[Si](C)(C)C1=CC=C(C=C1)SC
InChI
InChI=1S/C10H16SSi/c1-11-9-5-7-10(8-6-9)12(2,3)4/h5-8H,1-4H3
InChIKey
IJZLJXUFHVCGMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.2
TPSA
25.3000

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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