CAS RN: 54699-19-3
2-Amino-N-ethyl-2-thioxoacetamide
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.20250705 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54699-19-3
- Purity/Analytical Methods: >99.0%
54699-19-3 / 2-amino-N-ethyl-2-sulfanylideneacetamide
Basic Information
CAS
54699-19-3
Multi CAS
No
Molecular Formula
C4H8N2OS
Molecular Weight
132.190000
Exact Mass
132.035734
InChI
InChI=1S/C4H8N2OS/c1-2-6-4(7)3(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
InChIKey
RLYBUVDWOWNEFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.47
TPSA
55.12
LogP / Solubility
WLOGP
-0.59
MLOGP
-0.53
XLogP3
-0.2
Consensus LogP
-0.44
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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