![CAS 61612-02-0 2-Methylthieno[2,3-d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61612-02-0.gif)
CAS RN: 61612-02-0
2-Methylthieno[2,3-d]thiazole
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.20250123 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS61612-02-0
- Purity/Analytical Methods: >99.0%
61612-02-0 / 2-methylthieno[2,3-d][1,3]thiazole
Basic Information
CAS
61612-02-0
Multi CAS
No
Molecular Formula
C6H5NS2
Molecular Weight
155.200000
Exact Mass
154.986342
InChI
InChI=1S/C6H5NS2/c1-4-7-6-5(9-4)2-3-8-6/h2-3H,1H3
InChIKey
LYRYMIMXAYOASW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
8
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
42.23
TPSA
12.89
LogP / Solubility
WLOGP
2.67
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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