CAS RN: 1881296-22-5
3-Methylsulfanyl-5-nitro-pyridine
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.20250521 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1881296-22-5
- Purity/Analytical Methods: >99.0%
1881296-22-5 / 3-methylsulfanyl-5-nitropyridine
Basic Information
CAS
1881296-22-5
Multi CAS
No
Molecular Formula
C6H6N2O2S
Molecular Weight
170.190000
Exact Mass
170.014999
SMILES
CSC1=CN=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O2S/c1-11-6-2-5(8(9)10)3-7-4-6/h2-4H,1H3
InChIKey
JQXVFOZKSKMGRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.67
TPSA
56.03
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-2.54
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
-
6-chloro-5-MethoxynicotinaMide
- CAS RN: 1881320-69-9
- Product Code: starshine_CAS1881320-69-9
- Purity/Analytical method: >99.0%
-
-
1-bromo-3-chloro-5-propoxybenzene
- CAS RN: 1881329-59-4
- Product Code: starshine_CAS1881329-59-4
- Purity/Analytical method: >99.0%
-
-
(11bS)-4-Hydroxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 1882075-20-8
- Product Code: SSC-087554
-
1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-
- CAS RN: 1883265-32-4
- Product Code: SSC-087589
![CAS 1882075-20-8 (11bS)-4-Hydroxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1882075-20-8.gif)
