CAS 12068-85-8 Iron sulfide molecular structure

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CAS RN: 12068-85-8

Iron sulfide

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260404	200mg / 1g / 10g / 50g / 250g	Confirm by inquiry	Shanghai, Shandong, Chongqing, Hebei, Guangdong	Inquiry

Product code: SSC-021752

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 5g
Available purity: ＞97%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 12068-85-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	＞97%	0 Out of Stock	Shanghai	Inquiry

12068-85-8 / Iron sulfide

PYRITE | Pyrite (FeS2) | DTXSID40892244

Standard CAS: 12068-85-8 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12068-85-8

Multi CAS

Yes

Molecular Formula

FeS2

Molecular Weight

119.980000

Exact Mass

119.879078

SMILES

[S-][S-].[Fe+2]

InChI

InChI=1S/Fe.2S

InChIKey

NFMAZVUSKIJEIH-UHFFFAOYSA-N

Synonyms

PYRITE Pyrite (FeS2) DTXSID40892244 Schwefelkies Eisenkies

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

Molar refractivity

14.73

TPSA

2.0000

LogP / Solubility

WLOGP

-0.01

MLOGP

-0.02

XLogP3

-0.01

Consensus LogP

-0.01

Log S (ESOL)

-0.58

Class (ESOL)

Very soluble

Log S (Ali)

-0.54

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.43

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.46

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

H317 (56.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (56.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H400 (56.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (56.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501