![CAS 250-79-3 6H-Thieno[2,3-b]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250-79-3.gif)
CAS RN: 250-79-3
6H-Thieno[2,3-b]pyrrole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-120379
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
250-79-3 / 6H-thieno[2,3-b]pyrrole
Basic Information
CAS
250-79-3
Multi CAS
No
Molecular Formula
C6H5NS
Molecular Weight
123.180000
Exact Mass
123.014270
SMILES
C1=CNC2=C1C=CS2
InChI
InChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-4,7H
InChIKey
MYTYHLDSYLKPSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.18
TPSA
15.79
LogP / Solubility
WLOGP
2.23
MLOGP
1.95
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
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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