CAS RN: 51812-96-5
4-MERCAPTOQUINOLINE
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.20250408 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51812-96-5
- Purity/Analytical Methods: >99.0%
51812-96-5 / 1H-quinoline-4-thione
Basic Information
CAS
51812-96-5
Multi CAS
No
Molecular Formula
C9H7NS
Molecular Weight
161.230000
Exact Mass
161.029920
InChI
InChI=1S/C9H7NS/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey
ROYCCMJSURLMLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.13
TPSA
15.79
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
1.2
Consensus LogP
2.22
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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
Customers Also Viewed
-
1-N-Cbz-3-Oxo-pyrrolidine-2-carboxylic acid ethyl ester
- CAS RN: 51814-18-7
- Product Code: SSC-158837
-
-
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester
- CAS RN: 51814-46-1
- Product Code: starshine_CAS51814-46-1
- Purity/Analytical method: >99.0%
-
-
-
2,5-DISULPHOBENZALDEHYDE
- CAS RN: 51818-11-2
- Product Code: starshine_CAS51818-11-2
- Purity/Analytical method: >99.0%
![CAS 51814-46-1 L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51814-46-1.gif)
