CAS RN: 49625-94-7
Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250702 | 1kg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250409 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250318 | 500g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 100g / 250g / 1kg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS49625-94-7
- Purity/Analytical Methods: >99.0%
49625-94-7 / sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate
Basic Information
CAS
49625-94-7
Multi CAS
Yes
Molecular Formula
C10H10NNAO3S3
Molecular Weight
311.400000
Exact Mass
310.972051
InChI
InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKey
VRKNGZAPJYUNSN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
69.53
TPSA
70.09
LogP / Solubility
WLOGP
-0.67
MLOGP
-0.58
XLogP3
-0.67
Consensus LogP
-0.64
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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