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CAS 39098-97-0 Thiophene-2-acetyl Chloride molecular structure lightbox
CAS RN: 39098-97-0

Thiophene-2-acetyl Chloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250228 100g In stock Shanghai, Hebei Inquiry
Batchno.20260427 25g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20251007 500g Out of stock 5-7 business days Inquiry
Batchno.20260528 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-146693
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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: ≥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 39098-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

39098-97-0 / 2-thiophen-2-ylacetyl chloride

Standard CAS: 39098-97-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
39098-97-0
Multi CAS
No
Molecular Formula
C6H5CLOS
Molecular Weight
160.620000
Exact Mass
159.974964
InChI
InChI=1S/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKey
AJYXPNIENRLELY-UHFFFAOYSA-N

Physical Properties

Physical Description
Thiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.88
TPSA
17.07

LogP / Solubility

WLOGP
2.06
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.24

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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