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CAS 89517-96-4 1H-1,2,4-Triazole-3-sulfonamide(9CI) molecular structure lightbox
CAS RN: 89517-96-4

1H-1,2,4-Triazole-3-sulfonamide(9CI)

  • Product code: SSC-201512
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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: 0.1g
  • 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 89517-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

89517-96-4 / 1H-1,2,4-triazole-5-sulfonamide

Standard CAS: 89517-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89517-96-4
Multi CAS
No
Molecular Formula
C2H4N4O2S
Molecular Weight
148.150000
Exact Mass
148.005497
InChI
InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)
InChIKey
WXJWETDFIWKUHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
27.76
TPSA
101.73

LogP / Solubility

WLOGP
-1.55
MLOGP
-1.37
XLogP3
-1.1
Consensus LogP
-1.34
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.72

Drug-likeness / Medicinal Chemistry

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

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