CAS 1317-33-5 Molybdenum disulfide (hexagonal) molecular structure

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CAS RN: 1317-33-5

Molybdenum disulfide (hexagonal)

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Product code: SSC-038830

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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: 500g
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 1317-33-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
500g	≥97%	0 Out of Stock	Beijing	Inquiry

1317-33-5 / bis(sulfanylidene)molybdenum

Standard CAS: 1317-33-5 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

1317-33-5

Multi CAS

Molecular Formula

MoS2

Molecular Weight

160.100000

Exact Mass

161.849546

SMILES

S=[Mo]=S

InChI

InChI=1S/Mo.2S

InChIKey

CWQXQMHSOZUFJS-UHFFFAOYSA-N

Physical Properties

Melting Point

2375 °C

Boiling Point

450 °C, sublimes

Density

5.06 @ 15 °C/15 °C

Physical Description

Other Solid; Liquid; Dry Powder, Water or Solvent Wet Solid, Liquid; Pellets or Large Crystals Lustrous lead-grey powder; Black and lustrous when artificially prepared; Insoluble in water; [Merck Index] Black odorless powder; Insoluble in water

Appearance

LEAD-GRAY, LUSTROUS POWDER Black luster, hexagonal crystals

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

Molar refractivity

15.18

TPSA

64.2000

LogP / Solubility

WLOGP

1.29

MLOGP

1.13

XLogP3

1.29

Consensus LogP

1.24

Log S (ESOL)

-1.65

Class (ESOL)

Soluble

Log S (Ali)

-1.81

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.77

Class (SILICOS-IT)

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)

-2.78

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant Health Hazard

Signal

Warning Danger

GHS Hazard Statements

H332 (17.2%): Harmful if inhaled [Warning Acute toxicity, inhalation] H350 (25%): May cause cancer [Danger Carcinogenicity] Not Classified

Precautionary Statement Codes

P261, P271, P304+P340, and P317 P203, P280, P318, P405, and P501

Molybdenum disulfide (hexagonal)

Product Availability

Historical Supply Reference

Reference Pack Sizes

1317-33-5 / bis(sulfanylidene)molybdenum

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Safety & Transport

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