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CAS 88653-55-8 2-ACETYL-5-CYANOTHIOPHENE molecular structure lightbox
CAS RN: 88653-55-8

2-ACETYL-5-CYANOTHIOPHENE

Product Availability

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7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260223 1g In stock Inquiry
Batchno.20250902 25g Out of stock Inquiry
Batchno.20251120 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251030 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251023 1g In stock Shanghai Inquiry
Batchno.20251119 25g In stock Shanghai Inquiry
Batchno.20260428 5g In stock Shanghai Inquiry
  • Product code: SSC-200094
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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: ≥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 88653-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

88653-55-8 / 5-acetylthiophene-2-carbonitrile

Standard CAS: 88653-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88653-55-8
Multi CAS
No
Molecular Formula
C7H5NOS
Molecular Weight
151.190000
Exact Mass
151.009185
InChI
InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKey
VSHPLUBHIUFLES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.04
TPSA
40.86

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.35

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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