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CAS 98546-51-1 4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 98546-51-1

4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 1g In stock Shanghai, Shandong Inquiry
Batchno.20251208 25g In stock Shandong Inquiry
Batchno.20250708 5g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-212728
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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, 10g, 25g
  • Available purity: ≥97%
  • 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 98546-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

98546-51-1 / (4-methylsulfanylphenyl)boronic acid

Standard CAS: 98546-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98546-51-1
Multi CAS
Yes
Molecular Formula
BC7H9O2S
Molecular Weight
168.030000
Exact Mass
168.041631
InChI
InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey
IVUHTLFKBDDICS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.05
TPSA
40.46

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
0.09
Consensus LogP
0.08
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.68

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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