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CAS 25121-86-2 2,5-Dibromothieno[2,3-b]thiophene molecular structure lightbox
CAS RN: 25121-86-2

2,5-Dibromothieno[2,3-b]thiophene

  • Product code: SSC-120692
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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: 1g
  • Available purity: ≥98%
  • 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 25121-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

25121-86-2 / 2,5-dibromothieno[2,3-b]thiophene

Standard CAS: 25121-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25121-86-2
Multi CAS
No
Molecular Formula
C6H2Br2S2
Molecular Weight
298.000000
Exact Mass
297.794420
SMILES
C1=C(SC2=C1C=C(S2)Br)Br
InChI
InChI=1S/C6H2Br2S2/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H
InChIKey
QHVWXMMQBYLRTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
8
H-bond acceptors
2
Molar refractivity
55.1
TPSA
56.5000

LogP / Solubility

WLOGP
4.49
MLOGP
3.96
XLogP3
5
Consensus LogP
4.48
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

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

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