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: 500g
- 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 |
|---|---|---|---|---|
| 500g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
149-44-0 / Sodium Hydroxymethanesulfinate Dihydrate
Basic Information
CAS
149-44-0
Multi CAS
No
Molecular Formula
CH4NaO3S
Molecular Weight
119.100000
Exact Mass
118.977884
SMILES
C(O)S(=O)O.[Na]
InChI
InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);
InChIKey
SAJLIOLJORWJIO-UHFFFAOYSA-N
Physical Properties
Melting Point
63-64 °C
Physical Description
Pellets or Large Crystals; Dry Powder, Water or Solvent Wet Solid; Liquid
White solid; [HSDB] White powder with mild garlic odor
Appearance
HARD WHITE MASSES
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.61
TPSA
57.53
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.09
XLogP3
-1.22
Consensus LogP
-1.18
Log S (ESOL)
0.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
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)
-4.31
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
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (59.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H361 (36.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
