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CAS 536975-49-2 [[difluoro(triMethylsilyl)Methyl]thio]-Benzene molecular structure lightbox
CAS RN: 536975-49-2

[[difluoro(triMethylsilyl)Methyl]thio]-Benzene

  • Product code: SSC-161069
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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: ≥98%
  • 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 536975-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

536975-49-2 / [difluoro(phenylsulfanyl)methyl]-trimethylsilane

Standard CAS: 536975-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
536975-49-2
Multi CAS
No
Molecular Formula
C10F2H14SSi
Molecular Weight
232.370000
Exact Mass
232.055354
InChI
InChI=1S/C10H14F2SSi/c1-14(2,3)10(11,12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
NNNLERGMVGBYSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
60.59
TPSA
25.3000

LogP / Solubility

WLOGP
4.25
MLOGP
3.74
XLogP3
4.25
Consensus LogP
4.08
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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

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