CAS RN: 57235-50-4
2-AMINO-5-CYCLOPROPYL-1,3,4-THIADIAZOLE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-165326
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
57235-50-4 / 5-cyclopropyl-1,3,4-thiadiazol-2-amine
Basic Information
CAS
57235-50-4
Multi CAS
No
Molecular Formula
C5H7N3S
Molecular Weight
141.200000
Exact Mass
141.036068
InChI
InChI=1S/C5H7N3S/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
AVLUMBXGKFNNAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.3
TPSA
51.8
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
0.6
Consensus LogP
0.82
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-2.87
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 57242-71-4 SPIRO[IMIDAZOLIDINE-4,3-INDOLINE]-2,2,5-TRIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB54017577.gif)
