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CAS 22720-75-8 2-Acetylbenzo[b]thiophene molecular structure lightbox
CAS RN: 22720-75-8

2-Acetylbenzo[b]thiophene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 100g In stock Inquiry
Batchno.20260305 10g In stock Inquiry
Batchno.20250221 1g In stock Inquiry
Batchno.20250809 25g In stock Inquiry
Batchno.20251221 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-110802
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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: 100g
  • Available purity: ≥98%
  • 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 22720-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

22720-75-8 / 1-(1-benzothiophen-2-yl)ethanone

Standard CAS: 22720-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22720-75-8
Multi CAS
No
Molecular Formula
C10H8OS
Molecular Weight
176.240000
Exact Mass
176.029586
SMILES
CC(=O)C1=CC2=CC=CC=C2S1
InChI
InChI=1S/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKey
SGSGCQGCVKWRNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.83
TPSA
17.07

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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