[email protected]
CAS 12039-15-5 ZIRCONIUM SULFIDE molecular structure lightbox
CAS RN: 12039-15-5

ZIRCONIUM SULFIDE

  • Product code: SSC-021356
GET A QUOTE
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: 1g
  • Available purity: ≥99%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 12039-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥99% 0 Out of Stock Shanghai Inquiry

12039-15-5 / bis(sulfanylidene)zirconium

Zirconium sulfide | Zirconium sulfide (ZrS2) | EINECS 234-885-1

Standard CAS: 12039-15-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
12039-15-5
Multi CAS
Yes
Molecular Formula
S2Zr
Molecular Weight
155.360000
Exact Mass
153.848841
SMILES
S=[Zr]=S
InChI
InChI=1S/2S.Zr
InChIKey
WVMYSOZCZHQCSG-UHFFFAOYSA-N
Synonyms
Zirconium sulfide Zirconium sulfide (ZrS2) EINECS 234-885-1 DTXSID7065205 RefChem:196146

Physical Properties

Physical Description
Reddish-brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
3
H-bond acceptors
2
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)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us