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CAS 13578-51-3 1-(p-Toluenesulfonyl)-1,2,4-triazole molecular structure lightbox
CAS RN: 13578-51-3

1-(p-Toluenesulfonyl)-1,2,4-triazole

Product Availability

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9 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100g In stock Inquiry
Batchno.20250615 1g In stock Inquiry
Batchno.20250921 25g In stock Inquiry
Batchno.20260410 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 100g Out of stock Inquiry
Batchno.20250803 25g Out of stock Inquiry
Batchno.20260507 500g Out of stock Inquiry
Batchno.20250821 5g Out of stock Inquiry
  • Product code: SSC-044371
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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: 5g
  • 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 13578-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

13578-51-3 / 1-(4-methylphenyl)sulfonyl-1,2,4-triazole

Standard CAS: 13578-51-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13578-51-3
Multi CAS
No
Molecular Formula
C9H9N3O2S
Molecular Weight
223.250000
Exact Mass
223.041548
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2
InChI
InChI=1S/C9H9N3O2S/c1-8-2-4-9(5-3-8)15(13,14)12-7-10-6-11-12/h2-7H,1H3
InChIKey
GFWABQNSSIQCLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.78
TPSA
64.85

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
1.6
Consensus LogP
1.05
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.5

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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