CAS RN: 5098-14-6
Aminomalononitrile p-Toluenesulfonate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-157726
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
5098-14-6 / 2-aminopropanedinitrile;4-methylbenzenesulfonic acid
Basic Information
CAS
5098-14-6
Multi CAS
Yes
Molecular Formula
C10H11N3O3S
Molecular Weight
253.280000
Exact Mass
253.052112
InChI
InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey
MEUWQVWJLLBVQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.2
TPSA
127.97
LogP / Solubility
WLOGP
0.6
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
