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CAS 55854-46-1 5-Bromothiophenesulfonyl chloride molecular structure lightbox
CAS RN: 55854-46-1

5-Bromothiophenesulfonyl chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-163814
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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: 25g, 100g
  • 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 55854-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

55854-46-1 / 5-bromothiophene-2-sulfonyl chloride

Standard CAS: 55854-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55854-46-1
Multi CAS
No
Molecular Formula
C4H2BRCLO2S2
Molecular Weight
261.500000
Exact Mass
259.836810
InChI
InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey
WGYBIEOLAFYDEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.06
TPSA
34.14

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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