CAS RN: 80756-85-0
S-(2-Benzothiazolyl) (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)thioacetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250822 | 100g | In stock | Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20260528 | 1g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20250813 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250705 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20250822 | 500g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry | |
| Batchno.20260425 | 5g | In stock | Shandong, Guangdong | Inquiry |
- Product code: SSC-189432
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
80756-85-0 / S-(1,3-benzothiazol-2-yl) 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
Basic Information
CAS
80756-85-0
Multi CAS
Yes
Molecular Formula
C13H10N4O2S3
Molecular Weight
350.400000
Exact Mass
349.996589
InChI
InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)
InChIKey
COFDRZLHVALCDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
90.56
TPSA
90.46
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
4.1
Consensus LogP
3.25
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
