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CAS 32446-47-2 3-Ethylbenzothiazolium Bromide molecular structure lightbox
CAS RN: 32446-47-2

3-Ethylbenzothiazolium Bromide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 100g In stock Shanghai Inquiry
Batchno.20250720 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250324 25g In stock Shanghai Inquiry
Batchno.20250916 500g In stock Chengdu Inquiry
Batchno.20251229 5g In stock Shanghai Inquiry
  • Product code: SSC-138028
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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: ＞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 32446-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

32446-47-2 / 3-ethyl-1,3-benzothiazol-3-ium bromide

Standard CAS: 32446-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32446-47-2
Multi CAS
No
Molecular Formula
BC9H10RnS
Molecular Weight
244.150000
Exact Mass
242.971730
InChI
InChI=1S/C9H10NS.BrH/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChIKey
XBWYYTURPBHPFJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.69
TPSA
3.88

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.69
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.77

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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