![CAS 1176714-51-4 (6-Bromobenzo[d]thiazol-2-yl)methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1176714-51-4.gif)
CAS RN: 1176714-51-4
(6-Bromobenzo[d]thiazol-2-yl)methanamine
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.20250816 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-017519
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1176714-51-4 / (6-bromo-1,3-benzothiazol-2-yl)methanamine
(6-Bromobenzo[d]thiazol-2-yl)methanamine | (6-bromo-1,3-benzothiazol-2-yl)methanamine | 1-(6-Bromo-1,3-benzothiazol-2-yl)methanamine
Basic Information
CAS
1176714-51-4
Multi CAS
No
Molecular Formula
C8H7BrN2S
Molecular Weight
243.130000
Exact Mass
241.951330
SMILES
C1=CC2=C(C=C1Br)SC(=N2)CN
InChI
InChI=1S/C8H7BrN2S/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2
InChIKey
AZUIOPKOUGBGNZ-UHFFFAOYSA-N
Synonyms
(6-Bromobenzo[d]thiazol-2-yl)methanamine
(6-bromo-1,3-benzothiazol-2-yl)methanamine
1-(6-Bromo-1,3-benzothiazol-2-yl)methanamine
MFCD11902192
SCHEMBL20509831
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.21
TPSA
38.91
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
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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