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CAS 15718-46-4 1,2-Di(pyrimidin-2-yl)disulfane molecular structure lightbox
CAS RN: 15718-46-4

1,2-Di(pyrimidin-2-yl)disulfane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-066282
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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: 1g
  • Available purity: ≥95%
  • 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 15718-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

15718-46-4 / 2-(pyrimidin-2-yldisulfanyl)pyrimidine

Standard CAS: 15718-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15718-46-4
Multi CAS
No
Molecular Formula
C8H6N4S2
Molecular Weight
222.300000
Exact Mass
222.003389
SMILES
C1=CN=C(N=C1)SSC2=NC=CC=N2
InChI
InChI=1S/C8H6N4S2/c1-3-9-7(10-4-1)13-14-8-11-5-2-6-12-8/h1-6H
InChIKey
LJINHMVNIBCANU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.78
TPSA
51.56

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.3
Consensus LogP
1.73
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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