CAS RN: 14017-39-1
FERROUS SULFAMATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS14017-39-1
- Purity/Analytical Methods: >99.0%
14017-39-1 / iron(2+) disulfamate
Basic Information
CAS
14017-39-1
Multi CAS
No
Molecular Formula
FeH4N2O6S2
Molecular Weight
248.020000
Exact Mass
247.886014
SMILES
NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Fe+2]
InChI
InChI=1S/Fe.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChIKey
SQZYOZWYVFYNFV-UHFFFAOYSA-L
Physical Properties
Physical Description
25-30% aqueous solution: Green liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
27.77
TPSA
166.44
LogP / Solubility
WLOGP
-3.19
MLOGP
-2.8
XLogP3
-3.19
Consensus LogP
-3.06
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.38
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)
-6.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
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 (100%): 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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