CAS RN: 12038-64-1

RHENIUM SELENIDE

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  • Product code: starshine_CAS12038-64-1
  • Purity/Analytical Methods: >99.0%
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12038-64-1 / bis(selanylidene)rhenium

Rhenium selenide (ReSe2) | Rhenium selenide | EINECS 234-879-9

Standard CAS: 12038-64-1 Multi CAS: Yes

Basic Information

CAS
12038-64-1
Multi CAS
Yes
Molecular Formula
ReSe2
Molecular Weight
344.150000
Exact Mass
346.788800
SMILES
[Se]=[Re]=[Se]
InChI
InChI=1S/Re.2Se
InChIKey
CUYHGAIVHCHFIA-UHFFFAOYSA-N
Synonyms
Rhenium selenide (ReSe2) Rhenium selenide EINECS 234-879-9 NSC 378345 DTXSID2065202

Computed Properties

Structural Parameters

Heavy atom count
3
Molar refractivity
11.51
TPSA
0.0000

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.66
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1

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

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