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CAS 36157-40-1 3-Acetyl-2,5-dichlorothiophene molecular structure lightbox
CAS RN: 36157-40-1

3-Acetyl-2,5-dichlorothiophene

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 100g In stock Inquiry
Batchno.20260504 25g Out of stock Inquiry
Batchno.20250920 500g Out of stock Inquiry
Batchno.20260523 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250721 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-143311
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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: ≥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 36157-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

36157-40-1 / 1-(2,5-dichlorothiophen-3-yl)ethanone

Standard CAS: 36157-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36157-40-1
Multi CAS
Yes
Molecular Formula
C6H4CL2OS
Molecular Weight
195.070000
Exact Mass
193.935991
InChI
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKey
GYFDNIRENHZKGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.34
TPSA
17.07

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-1.6

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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