![CAS 4406-96-6 4-Pyridinecarboxylicacid, 2-[(methylamino)thioxomethyl]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4406-96-6.gif)
CAS RN: 4406-96-6
4-Pyridinecarboxylicacid, 2-[(methylamino)thioxomethyl]hydrazide
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.20250130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4406-96-6
- Purity/Analytical Methods: >99.0%
4406-96-6 / 1-methyl-3-(pyridine-4-carbonylamino)thiourea
Basic Information
CAS
4406-96-6
Multi CAS
No
Molecular Formula
C8H10N4OS
Molecular Weight
210.260000
Exact Mass
210.057532
InChI
InChI=1S/C8H10N4OS/c1-9-8(14)12-11-7(13)6-2-4-10-5-3-6/h2-5H,1H3,(H,11,13)(H2,9,12,14)
InChIKey
LUNYRIVCWOGWDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.5
TPSA
66.05
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
0.1
Consensus LogP
-0.08
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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