CAS RN: 40982-34-1
5-(methylthio)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.20251110 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40982-34-1
- Purity/Analytical Methods: >99.0%
40982-34-1 / 5-methylsulfanyl-1,3-thiazole
Basic Information
CAS
40982-34-1
Multi CAS
No
Molecular Formula
C4H5NS2
Molecular Weight
131.200000
Exact Mass
130.986342
InChI
InChI=1S/C4H5NS2/c1-6-4-2-5-3-7-4/h2-3H,1H3
InChIKey
ZWTDHPVYKALJKN-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
33.9
TPSA
12.89
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-2.2
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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