CAS RN: 53744-47-1
1H-Imidazole-2-sulfonic 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.20260212 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53744-47-1
- Purity/Analytical Methods: >99.0%
53744-47-1 / 1H-imidazole-2-sulfonic acid
Basic Information
CAS
53744-47-1
Multi CAS
No
Molecular Formula
C3H4N2O3S
Molecular Weight
148.140000
Exact Mass
147.994263
SMILES
C1=CN=C(N1)S(=O)(=O)O
InChI
InChI=1S/C3H4N2O3S/c6-9(7,8)3-4-1-2-5-3/h1-2H,(H,4,5)(H,6,7,8)
InChIKey
LYLDIIUFTYRPPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
28.4
TPSA
83.05
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.9
Consensus LogP
-0.52
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very 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)
-3.87
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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