![CAS 21210-90-2 2,5-Di(2-thienyl)thieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4725-jpgcontextbwfzdgvyfhjvb3r8mzayntj8aw1hz2uvanblz3xoyzgvagzjlzg5mzazmdq5odmwnzavrdq3mjuuanbnfge2ndeyotizm2m2otc0zmexn2yzywfhnmixmzexyzdhyjyymte2ytk4yzexymq1zdqxn2jlymnjmwi1mge1zdq.jpeg)
CAS RN: 21210-90-2
2,5-Di(2-thienyl)thieno[3,2-b]thiophene
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-101297
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
21210-90-2 / 2,5-dithiophen-2-ylthieno[3,2-b]thiophene
Basic Information
CAS
21210-90-2
Multi CAS
No
Molecular Formula
C14H8S4
Molecular Weight
304.500000
Exact Mass
303.950885
SMILES
C1=CSC(=C1)C2=CC3=C(S2)C=C(S3)C4=CC=CS4
InChI
InChI=1S/C14H8S4/c1-3-9(15-5-1)11-7-13-14(17-11)8-12(18-13)10-4-2-6-16-10/h1-8H
InChIKey
FDQXVHKNZBLBFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.33
TPSA
113.0000
LogP / Solubility
WLOGP
6.42
MLOGP
5.66
XLogP3
5.5
Consensus LogP
5.86
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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
No
Log Kp (skin permeation)
-0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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