CAS RN: 84824-76-0
4(5)-IMIDAZOLEDITHIOCARBOXYLIC ACID
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.20250624 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84824-76-0
- Purity/Analytical Methods: >99.0%
84824-76-0 / 1H-imidazole-5-carbodithioic acid
Basic Information
CAS
84824-76-0
Multi CAS
Yes
Molecular Formula
C4H4N2S2
Molecular Weight
144.200000
Exact Mass
143.981590
InChI
InChI=1S/C4H4N2S2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChIKey
RAUHREXYGRKIOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.27
TPSA
28.68
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.88
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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