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CAS 40412-06-4 2-(2-Thienyl)ethyl p-Toluenesulfonate molecular structure lightbox
CAS RN: 40412-06-4

2-(2-Thienyl)ethyl p-Toluenesulfonate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251202 10g In stock Shanghai, Chengdu Inquiry
Batchno.20260203 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260511 500g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251113 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-148583
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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 40412-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

40412-06-4 / 2-thiophen-2-ylethyl 4-methylbenzenesulfonate

Standard CAS: 40412-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40412-06-4
Multi CAS
No
Molecular Formula
C13H14O3S2
Molecular Weight
282.400000
Exact Mass
282.038437
InChI
InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3
InChIKey
HLPRKWVEMYDPAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
72.34
TPSA
43.37

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3.2
Consensus LogP
2.95
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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