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CAS 6440-09-1 4,4′-Di(1,2,3-triazolyl) Disulfide molecular structure lightbox
CAS RN: 6440-09-1

4,4′-Di(1,2,3-triazolyl) Disulfide

  • Product code: SSC-174177
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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 6440-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

6440-09-1 / 4-(2H-triazol-4-yldisulfanyl)-2H-triazole

Standard CAS: 6440-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6440-09-1
Multi CAS
Yes
Molecular Formula
C4H4N6S2
Molecular Weight
200.300000
Exact Mass
199.993887
InChI
InChI=1S/C4H4N6S2/c1-3(7-9-5-1)11-12-4-2-6-10-8-4/h1-2H,(H,5,7,9)(H,6,8,10)
InChIKey
NLSOBKJRPPRVSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
44.48
TPSA
83.14

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
Consensus LogP
0.45
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

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

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