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CAS 12024-22-5 GALLIUM(III) SULFIDE molecular structure lightbox
CAS RN: 12024-22-5

GALLIUM(III) SULFIDE

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  • Product code: starshine_CAS12024-22-5
  • Purity/Analytical Methods: >99.0%
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12024-22-5 / digallium;trisulfide

Gallium sulfide (GaS) | Gallium sulphide | Digallium trisulphide

Standard CAS: 12024-22-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12024-22-5
Multi CAS
Yes
Molecular Formula
Ga2S3
Molecular Weight
235.600000
Exact Mass
235.766490
SMILES
[S-2].[S-2].[S-2].[Ga+3].[Ga+3]
InChI
InChI=1S/2Ga.3S
InChIKey
RCKBMGHMPOIFND-UHFFFAOYSA-N
Synonyms
Gallium sulfide (GaS) Gallium sulphide Digallium trisulphide Gallium sulfide (Ga2S3) EINECS 234-688-0

Physical Properties

Physical Description
Odorless powder (varies in color)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
Molar refractivity
33.6
TPSA
3.0000

LogP / Solubility

WLOGP
-0.77
MLOGP
-0.67
XLogP3
-0.77
Consensus LogP
-0.74
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 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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