CAS RN: 45534-08-5
3-Amino-5-methylthio-1H-1,2,4-triazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-153290
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
45534-08-5 / 3-methylsulfanyl-1H-1,2,4-triazol-5-amine
Basic Information
CAS
45534-08-5
Multi CAS
Yes
Molecular Formula
C3H6N4S
Molecular Weight
130.170000
Exact Mass
130.031317
InChI
InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
InChIKey
XGWWZKBCQLBJNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.58
TPSA
67.59
LogP / Solubility
WLOGP
0.11
MLOGP
0.09
XLogP3
0.5
Consensus LogP
0.23
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 24807-55-4 3-Nitro-1,2,4-triazole [Coupling Agent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n0477-jpgcontextbwfzdgvyfhjvb3r8mzq0mtj8aw1hz2uvanblz3xoy2ivagi2lzg5mze2odu4mjy1otavtja0nzcuanbnfdnjzte3ztk1yzm5ztiyzju3mzvmmjbmymfkn2jmzwmxngu2zmu0mje2njq3odywzdm4mdq0zwi3nwu2m2qyytu.jpeg)