![CAS 67061-73-8 Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5587-jpgcontextbwfzdgvyfhjvb3r8mjk1ndr8aw1hz2uvanblz3xomjcvadljlzg5mza0ndq3nzezntgvrdu1odcuanbnfgq2zjjjmzgxzmqxzmi5mja3yjq0ywmwyjfmmzaxm2uwyjzmn2vmyjy4ytk2nzg1zwfhytezotqyyme0mdhjmzk.jpeg)
CAS RN: 67061-73-8
Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
- Product code: ICTD5587
- Purity/Analytical Methods: >92.0%(GC)
67061-73-8 / 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarbaldehyde
Basic Information
CAS
67061-73-8
Multi CAS
No
Molecular Formula
C10H4O2S3
Molecular Weight
252.300000
Exact Mass
251.937343
InChI
InChI=1S/C10H4O2S3/c11-3-5-1-7-9(13-5)10-8(15-7)2-6(4-12)14-10/h1-4H
InChIKey
DOOTUPNBFBPBJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
65.86
TPSA
34.14
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
3.4
Consensus LogP
3.52
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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