CAS RN: 97109-46-1
1,3,4-Thiadiazole, 2-bromo-5-(methylthio)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250122 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97109-46-1
- Purity/Analytical Methods: >99.0%
97109-46-1 / 2-bromo-5-methylsulfanyl-1,3,4-thiadiazole
Basic Information
CAS
97109-46-1
Multi CAS
No
Molecular Formula
BC3H3Rn2S2
Molecular Weight
211.100000
Exact Mass
209.892100
InChI
InChI=1S/C3H3BrN2S2/c1-7-3-6-5-2(4)8-3/h1H3
InChIKey
XJRSSTCKTZZGHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
39.39
TPSA
25.78
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.57
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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