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CAS 10138-04-2 Ammonium iron(III) sulfate molecular structure lightbox
CAS RN: 10138-04-2

Ammonium iron(III) sulfate

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  • Product code: starshine_CAS10138-04-2
  • Purity/Analytical Methods: >99.0%
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10138-04-2 / azanium;iron(3+);disulfate

DTXSID70173619 | RefChem:915717 | DTXCID8096110

Standard CAS: 10138-04-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10138-04-2
Multi CAS
Yes
Molecular Formula
FeH4NO8S2
Molecular Weight
266.000000
Exact Mass
265.872769
SMILES
[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3]
InChI
InChI=1S/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3
InChIKey
XGGLLRJQCZROSE-UHFFFAOYSA-K
Synonyms
DTXSID70173619 RefChem:915717 DTXCID8096110 ammonium ferrous sulfate (2:2:1) Ammonium ferrous sulfate

Physical Properties

Physical Description
Dodecahydrate; Colorless to pale violet transparent solid; Efflorescent and odorless; Soluble in water; [Merck Index] Pale violet transparent crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
H-bond acceptors
8
H-bond donors
1
Molar refractivity
26.93
TPSA
197.02

LogP / Solubility

WLOGP
-2.3
MLOGP
-2.02
XLogP3
-2.3
Consensus LogP
-2.21
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.52
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)
-5.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (87.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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