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CAS 57842-27-0 1,3-Benzodithiolylium Tetrafluoroborate [Hydroxyl-Protecting Agent] molecular structure lightbox
CAS RN: 57842-27-0

1,3-Benzodithiolylium Tetrafluoroborate [Hydroxyl-Protecting Agent]

  • Product code: SSC-166056
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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: 5g
  • 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 57842-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

57842-27-0 / 1,3-benzodithiol-3-ium tetrafluoroborate

Standard CAS: 57842-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57842-27-0
Multi CAS
Yes
Molecular Formula
BC7F4H5S2
Molecular Weight
240.100000
Exact Mass
239.986185
InChI
InChI=1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1
InChIKey
CUSWPJQKCZMDPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
54.3
TPSA
56.5000

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
4.54
Consensus LogP
4.36
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96

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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