CAS 12067-45-7 TITANIUM SELENIDE molecular structure

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CAS RN: 12067-45-7

TITANIUM SELENIDE

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260402	1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong, Guangdong, Hebei		Inquiry

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Product code: starshine_CAS12067-45-7
Purity/Analytical Methods: >99.0%

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12067-45-7 / bis(selanylidene)titanium

Titanium selenide | Titanium selenide (TiSe2) | EINECS 235-077-1

Standard CAS: 12067-45-7 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12067-45-7

Multi CAS

Yes

Molecular Formula

Se2Ti

Molecular Weight

205.810000

Exact Mass

207.780980

SMILES

[Ti](=[Se])=[Se]

InChI

InChI=1S/2Se.Ti

InChIKey

SWFBFRDZBFXEHJ-UHFFFAOYSA-N

Synonyms

Titanium selenide Titanium selenide (TiSe2) EINECS 235-077-1 DTXSID9065239 RefChem:190156

Computed Properties

Structural Parameters

Heavy atom count

Molar refractivity

11.51

TPSA

0.0000

LogP / Solubility

WLOGP

-0.76

MLOGP

-0.67

XLogP3

-0.76

Consensus LogP

-0.73

Log S (ESOL)

-0.63

Class (ESOL)

Very soluble

Log S (Ali)

-0.7

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.36

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.52

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)

Acute Toxic Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

H301+H331 (100%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statement Codes

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501