CAS RN: 53645-99-1
5-CHLORO-4-METHYL-1,2,3-THIADIAZOLE
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.20250111 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53645-99-1
- Purity/Analytical Methods: >99.0%
53645-99-1 / 5-chloro-4-methylthiadiazole
Basic Information
CAS
53645-99-1
Multi CAS
No
Molecular Formula
C3H3CLN2S
Molecular Weight
134.590000
Exact Mass
133.970547
InChI
InChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3
InChIKey
RRQBJFBRLOWLJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
29.66
TPSA
25.78
LogP / Solubility
WLOGP
1.5
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.48
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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