![CAS 96356-06-8 2-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOLE-6-CARBOXYLICACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB01253458.gif)
CAS RN: 96356-06-8
2-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOLE-6-CARBOXYLICACID
- Product code: SSC-211972
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
96356-06-8 / 2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
Basic Information
CAS
96356-06-8
Multi CAS
Yes
Molecular Formula
C6H5N3O2S
Molecular Weight
183.190000
Exact Mass
183.010248
InChI
InChI=1S/C6H5N3O2S/c1-3-8-9-2-4(5(10)11)7-6(9)12-3/h2H,1H3,(H,10,11)
InChIKey
XPVBUTIMBWWGJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.56
TPSA
67.49
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
1.1
Consensus LogP
0.87
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
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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