CAS RN: 22948-02-3
3-Aminobenzenethiol
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250918 | 100g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260322 | 100g | Out of stock | Inquiry | ||
| Batchno.20250608 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry | |
| Batchno.20251224 | 25g | Out of stock | Inquiry | ||
| Batchno.20250108 | 500g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251226 | 5g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20250723 | 5g | Out of stock | Inquiry |
- Product code: ICTA1852
- Purity/Analytical Methods: >97.0%(GC)(T)
22948-02-3 / 3-aminobenzenethiol
Basic Information
CAS
22948-02-3
Multi CAS
No
Molecular Formula
C6H7NS
Molecular Weight
125.190000
Exact Mass
125.029920
SMILES
C1=CC(=CC(=C1)S)N
InChI
InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKey
KFFUEVDMVNIOHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.11
TPSA
26.02
LogP / Solubility
WLOGP
1.56
MLOGP
1.36
XLogP3
0.5
Consensus LogP
1.14
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.38
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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