[email protected]
CAS 158956-23-1 2,5-Dibromo-3-decylthiophene molecular structure lightbox
CAS RN: 158956-23-1

2,5-Dibromo-3-decylthiophene

Product Availability

Choose a grade to view its available package options.

11 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 100g In stock Inquiry
Batchno.20260315 1g In stock Inquiry
Batchno.20260621 25g In stock Inquiry
Batchno.20251007 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 100g Out of stock 8-10 business days Inquiry
Batchno.20260428 1g In stock Shanghai, Shandong Inquiry
Batchno.20250928 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250301 100g Out of stock Inquiry
Batchno.20260214 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260215 25g In stock Tianjin, Chengdu Inquiry
Batchno.20260310 5g In stock Shanghai Inquiry
  • Product code: SSC-067101
GET A QUOTE
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: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 158956-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

158956-23-1 / 2,5-dibromo-3-decylthiophene

Standard CAS: 158956-23-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
158956-23-1
Multi CAS
No
Molecular Formula
C14H22Br2S
Molecular Weight
382.200000
Exact Mass
381.978850
SMILES
CCCCCCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C14H22Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-10H2,1H3
InChIKey
CQDSRZZKSUNTSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
86.03
TPSA
28.2000

LogP / Solubility

WLOGP
6.96
MLOGP
6.14
XLogP3
8.8
Consensus LogP
7.3
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us