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CAS 676-88-0 TRIMETHYLSULFONIUM TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 676-88-0

TRIMETHYLSULFONIUM TETRAFLUOROBORATE

  • Product code: SSC-177295
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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 676-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

676-88-0 / trimethylsulfanium tetrafluoroborate

Standard CAS: 676-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676-88-0
Multi CAS
Yes
Molecular Formula
BC3F4H9S
Molecular Weight
163.980000
Exact Mass
164.045414
InChI
InChI=1S/C3H9S.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
InChIKey
RNBNWTAKWJKQNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
5
Molar refractivity
35.32
TPSA
1.0000

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.45

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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