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CAS 21512-16-3 5-Formylthiophene-2-carbonitrile molecular structure lightbox
CAS RN: 21512-16-3

5-Formylthiophene-2-carbonitrile

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100g In stock Shanghai Inquiry
Batchno.20250303 10g In stock Shanghai Inquiry
Batchno.20260127 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260227 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260219 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250112 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-103100
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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: 10g
  • 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 21512-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

21512-16-3 / 5-formylthiophene-2-carbonitrile

Standard CAS: 21512-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21512-16-3
Multi CAS
No
Molecular Formula
C6H3NOS
Molecular Weight
137.160000
Exact Mass
136.993535
SMILES
C1=C(SC(=C1)C#N)C=O
InChI
InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H
InChIKey
PZIFYWVUYHMYOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.42
TPSA
40.86

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.54

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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