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CAS 116971-11-0 2,5-Dibromo-3-hexylthiophene molecular structure lightbox
CAS RN: 116971-11-0

2,5-Dibromo-3-hexylthiophene

Product Availability

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 100g Out of stock Inquiry
Batchno.20251125 1g In stock Inquiry
Batchno.20250427 25g In stock Inquiry
Batchno.20250331 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250507 100g Out of stock 5-7 business days Inquiry
Batchno.20251225 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250624 25g In stock Shanghai Inquiry
Batchno.20260223 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-016790
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116971-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

116971-11-0 / 2,5-dibromo-3-hexylthiophene

Thiophene, 2,5-dibromo-3-hexyl- | DTXSID50888890 | RefChem:189605

Standard CAS: 116971-11-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116971-11-0
Multi CAS
No
Molecular Formula
C10H14Br2S
Molecular Weight
326.090000
Exact Mass
325.916250
SMILES
CCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
InChIKey
NSYFIAVPXHGRSH-UHFFFAOYSA-N
Synonyms
Thiophene, 2,5-dibromo-3-hexyl- DTXSID50888890 RefChem:189605 DTXCID701028161 2,5-Dibromo-3-hexylthiophene

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
67.57
TPSA
28.2000

LogP / Solubility

WLOGP
5.4
MLOGP
4.76
XLogP3
6.6
Consensus LogP
5.59
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 38 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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