CAS RN: 1606-76-4
2-Nitrothiazole
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.20250225 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1606-76-4
- Purity/Analytical Methods: >99.0%
1606-76-4 / 2-nitro-1,3-thiazole
Basic Information
CAS
1606-76-4
Multi CAS
No
Molecular Formula
C3H2N2O2S
Molecular Weight
130.130000
Exact Mass
129.983698
SMILES
C1=CSC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-4-1-2-8-3/h1-2H
InChIKey
ALNUOSXDMYFQNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
28.77
TPSA
56.03
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.1
Consensus LogP
1.02
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.77
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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