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CAS 104934-52-3 3-Dodecylthiophene molecular structure lightbox
CAS RN: 104934-52-3

3-Dodecylthiophene

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 100g In stock Inquiry
Batchno.20250918 1g In stock Inquiry
Batchno.20260211 25g In stock Inquiry
Batchno.20250429 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100g In stock Shanghai Inquiry
Batchno.20260409 10g In stock Shanghai Inquiry
Batchno.20250113 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260309 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250926 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250818 500g In stock Shanghai Inquiry
Batchno.20260405 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-006674
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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: 25g
  • 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 104934-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

104934-52-3 / 3-dodecylthiophene

3-Dodecylthiophene | DTXSID40369961 | RefChem:1067696

Standard CAS: 104934-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104934-52-3
Multi CAS
Yes
Molecular Formula
C16H28S
Molecular Weight
252.500000
Exact Mass
252.191172
SMILES
CCCCCCCCCCCCC1=CSC=C1
InChI
InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
InChIKey
RFKWIEFTBMACPZ-UHFFFAOYSA-N
Synonyms
3-Dodecylthiophene DTXSID40369961 RefChem:1067696 DTXCID00320997 Thiophene, 3-dodecyl-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
79.87
TPSA
28.2000

LogP / Solubility

WLOGP
6.21
MLOGP
5.47
XLogP3
8.2
Consensus LogP
6.63
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.15

Drug-likeness / Medicinal Chemistry

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

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