![CAS 203395-29-3 5-Bromo-2-(methylthio)benzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/203395-29-3.gif)
CAS RN: 203395-29-3
5-Bromo-2-(methylthio)benzo[d]thiazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-095747
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
203395-29-3 / 5-bromo-2-methylsulfanyl-1,3-benzothiazole
Basic Information
CAS
203395-29-3
Multi CAS
No
Molecular Formula
C8H6BrNS2
Molecular Weight
260.200000
Exact Mass
258.912500
SMILES
CSC1=NC2=C(S1)C=CC(=C2)Br
InChI
InChI=1S/C8H6BrNS2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3
InChIKey
PSMLEPVOELTZAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.1
TPSA
12.89
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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