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CAS 24434-84-2 BENZO[B]THIOPHENE-3-CARBONITRILE molecular structure lightbox
CAS RN: 24434-84-2

BENZO[B]THIOPHENE-3-CARBONITRILE

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 1g In stock Inquiry
Batchno.20260120 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260305 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-118889
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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: ≥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 24434-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

24434-84-2 / 1-benzothiophene-5-carbonitrile

Standard CAS: 24434-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24434-84-2
Multi CAS
No
Molecular Formula
C9H5NS
Molecular Weight
159.210000
Exact Mass
159.014270
SMILES
C1=CC2=C(C=CS2)C=C1C#N
InChI
InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey
IPJUOWGTGHKFKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
46.54
TPSA
23.79

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-1.72

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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