![CAS 25121-81-7 2-Bromothieno[2,3-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3692-jpgcontextbwfzdgvyfhjvb3r8mzeymzn8aw1hz2uvanblz3xonjavadm2lzg5mjg5nzk3nzk2mtqvqjm2otiuanbnfgrkywzizwe0ymezogy0mdkzyjqwndzimta4mdc2nzqzmzdmyjeyzwu4mzg3mjnhntazmzlhy2zjytk5ymrlngq.jpeg)
CAS RN: 25121-81-7
2-Bromothieno[2,3-b]thiophene
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-120690
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
25121-81-7 / 5-bromothieno[2,3-b]thiophene
Basic Information
CAS
25121-81-7
Multi CAS
No
Molecular Formula
C6H3BrS2
Molecular Weight
219.100000
Exact Mass
217.885960
SMILES
C1=CSC2=C1C=C(S2)Br
InChI
InChI=1S/C6H3BrS2/c7-5-3-4-1-2-8-6(4)9-5/h1-3H
InChIKey
DRHZNSHNAFMJJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
8
H-bond acceptors
2
Molar refractivity
47.4
TPSA
56.5000
LogP / Solubility
WLOGP
3.73
MLOGP
3.28
XLogP3
4
Consensus LogP
3.67
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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)
-1.41
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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