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CAS 121134-38-1 3-(2-Ethylhexyl)thiophene molecular structure lightbox
CAS RN: 121134-38-1

3-(2-Ethylhexyl)thiophene

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 1g / 5g / 10g / 50g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 100g Out of stock Inquiry
Batchno.20250128 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250515 250mg In stock Shanghai Inquiry
Batchno.20250620 25g In stock Shanghai Inquiry
Batchno.20250314 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-022496
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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: 1g
  • 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 121134-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

121134-38-1 / 3-(2-ethylhexyl)thiophene

3-(2-ETHYLHEXYL)THIOPHENE | DTXSID00560073 | RefChem:273676

Standard CAS: 121134-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121134-38-1
Multi CAS
No
Molecular Formula
C12H20S
Molecular Weight
196.350000
Exact Mass
196.128572
SMILES
CCCCC(CC)CC1=CSC=C1
InChI
InChI=1S/C12H20S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKey
HWMQCIZYXLAJKM-UHFFFAOYSA-N
Synonyms
3-(2-ETHYLHEXYL)THIOPHENE DTXSID00560073 RefChem:273676 DTXCID00510851 MFCD02260336

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
61.33
TPSA
28.2000

LogP / Solubility

WLOGP
4.51
MLOGP
3.97
XLogP3
5.4
Consensus LogP
4.63
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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