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CAS 4861-58-9 2-Pentylthiophene molecular structure lightbox
CAS RN: 4861-58-9

2-Pentylthiophene

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100g In stock Inquiry
Batchno.20260113 25g In stock Inquiry
Batchno.20260531 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260619 10g Out of stock Inquiry
Batchno.20250914 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260128 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 100g In stock Shandong Inquiry
Batchno.20250905 25g In stock Shanghai, Shandong Inquiry
Batchno.20250522 5g In stock Shanghai Inquiry
  • Product code: SSC-155318
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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 4861-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

4861-58-9 / 2-pentylthiophene

Standard CAS: 4861-58-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4861-58-9
Multi CAS
No
Molecular Formula
C9H14S
Molecular Weight
154.270000
Exact Mass
154.081622
InChI
InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey
NOYVOSGVFSEKPR-UHFFFAOYSA-N

Physical Properties

Boiling Point
96.00 °C. @ 30.00 mm Hg
Density
0.942-0.949
Physical Description
Clear colourless liquid; Fruity, fatty aroma with a cranberry note
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
47.55
TPSA
28.2000

LogP / Solubility

WLOGP
3.48
MLOGP
3.06
XLogP3
4.3
Consensus LogP
3.61
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.19

Drug-likeness / Medicinal Chemistry

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

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