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CAS 110851-66-6 3-Tetradecylthiophene molecular structure lightbox
CAS RN: 110851-66-6

3-Tetradecylthiophene

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 100g Out of stock Inquiry
Batchno.20250420 10g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250105 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250826 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20260528 25g In stock Chengdu Inquiry
Batchno.20250903 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-011786
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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: ≥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 110851-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

110851-66-6 / 3-tetradecylthiophene

3-Tetradecylthiophene | DTXSID50565159 | RefChem:282700

Standard CAS: 110851-66-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110851-66-6
Multi CAS
Yes
Molecular Formula
C18H32S
Molecular Weight
280.500000
Exact Mass
280.222472
SMILES
CCCCCCCCCCCCCCC1=CSC=C1
InChI
InChI=1S/C18H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17-18/h15-17H,2-14H2,1H3
InChIKey
CAEIOINMYGTXNS-UHFFFAOYSA-N
Synonyms
3-Tetradecylthiophene DTXSID50565159 RefChem:282700 DTXCID30515935 MFCD09750675

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.78
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
89.1
TPSA
28.2000

LogP / Solubility

WLOGP
6.99
MLOGP
6.16
XLogP3
9.3
Consensus LogP
7.48
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
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)
0.53

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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