CAS RN: 536-57-2
P-TOLUENESULFINIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-160975
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: 1g, 5g, 10g, 25g, 0.25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 1 In Stock | Shenzhen | Inquiry |
536-57-2 / 4-methylbenzenesulfinic acid
Basic Information
CAS
536-57-2
Multi CAS
Yes
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
InChI
InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
InChIKey
FXJVNINSOKCNJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.22
TPSA
37.3
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.49
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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