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CAS 3922-47-2 3-(BENZYLSULFANYL)-1H-1,2,4-TRIAZOL-5-YLAMINE molecular structure lightbox
CAS RN: 3922-47-2

3-(BENZYLSULFANYL)-1H-1,2,4-TRIAZOL-5-YLAMINE

  • Product code: SSC-146891
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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: 0.25g
  • 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 3922-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

3922-47-2 / 3-benzylsulfanyl-1H-1,2,4-triazol-5-amine

Standard CAS: 3922-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3922-47-2
Multi CAS
Yes
Molecular Formula
C9H10N4S
Molecular Weight
206.270000
Exact Mass
206.062618
InChI
InChI=1S/C9H10N4S/c10-8-11-9(13-12-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKey
NQJATJCXKYZVEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.8
TPSA
67.59

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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