![CAS 69-78-3 5,5′-Dithiobis(2-nitrobenzoic Acid) [for Determination of SH groups] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d0944-jpgcontextbwfzdgvyfhjvb3r8mza0ntf8aw1hz2uvanblz3xoyzevaguzlzg5mjk4mduwnzq0njivrda5ndquanbnfgy1otm1n2u1mdm2zdblnmnhntdjodmzzdq4ndy4y2yxotjlnwvjownmnti4nwq4ytnimzk5mdfkodnknjflnwy.jpeg)
CAS RN: 69-78-3
5,5′-Dithiobis(2-nitrobenzoic Acid) [for Determination of SH groups]
Product Availability
Choose a grade to view its available package options.
17 package records17 with current stock5 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260515 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250507 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20260327 | 10g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250810 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250727 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 5-7 business days | Inquiry |
| Batchno.20250807 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260125 | 500g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250812 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260528 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 8-10 business days | Inquiry |
- Product code: SSC-178627
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, 5g, 10g, 1g, 500g
- Available purity: >98%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 3 In Stock | Shanghai | Inquiry |
| 5g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 1 In Stock | Beijing | Inquiry |
| 1g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >98% | 0 Out of Stock | Beijing | Inquiry |
69-78-3 / 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Basic Information
CAS
69-78-3
Multi CAS
Yes
Molecular Formula
C14H8N2O8S2
Molecular Weight
396.400000
Exact Mass
395.972208
InChI
InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey
KIUMMUBSPKGMOY-UHFFFAOYSA-N
Physical Properties
Physical Description
Yellow solid; [Merck Index] Light yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
91.83
TPSA
160.88
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
2.7
Consensus LogP
3.23
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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