CAS 10101-68-5 MANGANESE(II) SULFATE TETRAHYDRATE molecular structure

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CAS RN: 10101-68-5

MANGANESE(II) SULFATE TETRAHYDRATE

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Product code: starshine_CAS10101-68-5
Purity/Analytical Methods: >99.0%

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10101-68-5 / manganese(2+);sulfate;tetrahydrate

Manganese sulfate tetrahydrate | Manganese sulphate, tetrahydrate | manganese(2+) sulfate tetrahydrate

Standard CAS: 10101-68-5 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10101-68-5

Multi CAS

Yes

Molecular Formula

H8MnO8S

Molecular Weight

223.060000

Exact Mass

222.932031

SMILES

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

InChI

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

InChIKey

CDUFCUKTJFSWPL-UHFFFAOYSA-L

Synonyms

Manganese sulfate tetrahydrate Manganese sulphate, tetrahydrate manganese(2+) sulfate tetrahydrate F46LH60L4M DTXSID001015565

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

H-bond donors

Molar refractivity

24.93

TPSA

206.26

LogP / Solubility

WLOGP

-4.64

MLOGP

-4.08

XLogP3

-4.64

Consensus LogP

-4.45

Log S (ESOL)

1.7

Class (ESOL)

Highly soluble

Log S (Ali)

1.96

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

2.74

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)

-7.37

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Health Hazard Environmental Hazard Corrosive Irritant

Signal

Warning Danger

GHS Hazard Statements

H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302: Harmful if swallowed [Warning Acute toxicity, oral] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

Precautionary Statement Codes

P260, P273, P319, P391, and P501 P260, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P319, P330, and P501