CAS 10101-98-1 Nickel(II) sulfate heptahydrate molecular structure

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CAS RN: 10101-98-1

Nickel(II) sulfate heptahydrate

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Product code: starshine_CAS10101-98-1
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10101-98-1 / nickel(2+);sulfate;heptahydrate

Nickel(II) sulfate heptahydrate | NICKEL SULFATE HEPTAHYDRATE | Nickelous sulfate heptahydrate

Standard CAS: 10101-98-1 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

10101-98-1

Multi CAS

Yes

Molecular Formula

H14NiO11S

Molecular Weight

280.870000

Exact Mass

279.961024

SMILES

O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2]

InChI

InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2

InChIKey

OGKAGKFVPCOHQW-UHFFFAOYSA-L

Synonyms

Nickel(II) sulfate heptahydrate NICKEL SULFATE HEPTAHYDRATE Nickelous sulfate heptahydrate Nickel(2+) sulfate heptahydrate Sulfuric acid, nickel(2+) salt (1:1), heptahydrate

Physical Properties

Physical Description

Green solid, soluble in water; [Merck Index]

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

H-bond donors

Molar refractivity

35.77

TPSA

300.76

LogP / Solubility

WLOGP

-7.11

MLOGP

-6.25

XLogP3

-7.11

Consensus LogP

-6.82

Log S (ESOL)

2.9

Class (ESOL)

Highly soluble

Log S (Ali)

3.27

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

4.42

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-9.48

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Precautionary Statement Codes

P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P405, and P501