![CAS 267-61-8 Benzo[1,2-b:5,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/267-61-8.gif)
CAS RN: 267-61-8
Benzo[1,2-b:5,4-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-124821
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 | Beijing | Inquiry |
267-61-8 / thieno[3,2-f][1]benzothiole
Basic Information
CAS
267-61-8
Multi CAS
No
Molecular Formula
C10H6S2
Molecular Weight
190.300000
Exact Mass
189.991093
SMILES
C1=CSC2=CC3=C(C=CS3)C=C21
InChI
InChI=1S/C10H6S2/c1-3-11-9-6-10-8(2-4-12-10)5-7(1)9/h1-6H
InChIKey
GDVHFOZYTHGPGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
57.21
TPSA
56.5000
LogP / Solubility
WLOGP
4.12
MLOGP
3.62
XLogP3
4
Consensus LogP
3.91
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 26774-89-0 (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26774-89-0.gif)