CAS RN: 31999-88-9
S-Sodium Ethanethiosulfonate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-137447
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
31999-88-9 / sodium ethyl-oxido-oxo-sulfanylidene-lambda6-sulfane
Basic Information
CAS
31999-88-9
Multi CAS
Yes
Molecular Formula
C2H5NAO2S2
Molecular Weight
148.180000
Exact Mass
147.962866
InChI
InChI=1S/C2H6O2S2.Na/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKey
PISVIEQBTMLLCS-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
26.83
TPSA
40.13
LogP / Solubility
WLOGP
-3.11
MLOGP
-2.75
XLogP3
-3.11
Consensus LogP
-2.99
Log S (ESOL)
1.27
Class (ESOL)
Highly soluble
Log S (Ali)
1.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.84
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
