Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 5g, 10g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 14542-13-3
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 25g |
≥98% |
4
In Stock
|
Beijing |
Inquiry |
| 5g |
≥98% |
3
In Stock
|
Beijing |
Inquiry |
| 10g |
≥98% |
2
In Stock
|
Beijing |
Inquiry |
| 100g |
≥98% |
0
Out of Stock
|
Shanghai |
Inquiry |
14542-13-3 / 2-methoxy-1,3-thiazole
Standard CAS: 14542-13-3
Multi CAS: No
Basic Information
CAS
14542-13-3
Multi CAS
No
Molecular Formula
C4H5NOS
Molecular Weight
115.160000
Exact Mass
115.009185
SMILES
COC1=NC=CS1
InChI
InChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKey
MJJRDTKNLLMJDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.67
TPSA
22.12
LogP / Solubility
WLOGP
1.15
MLOGP
1
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501