![CAS 124638-53-5 2,3,5,6-Tetrabromothieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2772-jpgcontextbwfzdgvyfhjvb3r8mzmzmjr8aw1hz2uvanblz3xoytqvagvhlzg5mzi2ndm1njk2otqvvdi3nziuanbnfgmwmzi0yzezotfkzjm5mji2mdkwmdnkngqwymexmjg5ogvhymqwntc3zdexodqxnge1nwvimdk5mtvmodrhmdk.jpeg)
CAS RN: 124638-53-5
2,3,5,6-Tetrabromothieno[3,2-b]thiophene
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTT2772
- Purity/Analytical Methods: >98.0%(GC)
124638-53-5 / 2,3,5,6-tetrabromothieno[3,2-b]thiophene
Basic Information
CAS
124638-53-5
Multi CAS
No
Molecular Formula
C6Br4S2
Molecular Weight
455.800000
Exact Mass
455.613390
SMILES
C12=C(C(=C(S1)Br)Br)SC(=C2Br)Br
InChI
InChI=1S/C6Br4S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKey
CWCKRNKYWPNOAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
H-bond acceptors
2
Molar refractivity
70.5
TPSA
56.5000
LogP / Solubility
WLOGP
6.01
MLOGP
5.32
XLogP3
6.1
Consensus LogP
5.81
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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