CAS RN: 19153-98-1

Gold(I) trisodium disulphite

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  • Product code: starshine_CAS19153-98-1
  • Purity/Analytical Methods: >99.0%
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19153-98-1 / trisodium;gold(1+);disulfite

Standard CAS: 19153-98-1 Multi CAS: No

Basic Information

CAS
19153-98-1
Multi CAS
No
Molecular Formula
AuNa3O6S2
Molecular Weight
426.070000
Exact Mass
425.849508
SMILES
[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+]
InChI
InChI=1S/Au.3Na.2H2O3S/c;;;;2*1-4(2)3/h;;;;2*(H2,1,2,3)/q4*+1;;/p-4
InChIKey
YZFKUFJKKKTKSB-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
12
H-bond acceptors
6
Molar refractivity
19.39
TPSA
126.38

LogP / Solubility

WLOGP
-11
MLOGP
-9.65
XLogP3
-11
Consensus LogP
-10.55
Log S (ESOL)
4.45
Class (ESOL)
Highly soluble
Log S (Ali)
4.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.7
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)
-13.13

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (99.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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