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CAS 4922-99-0 5-THIEN-2-YL-4H-1,2,4-TRIAZOL-3-AMINE molecular structure lightbox
CAS RN: 4922-99-0

5-THIEN-2-YL-4H-1,2,4-TRIAZOL-3-AMINE

  • Product code: SSC-155606
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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 4922-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

4922-99-0 / 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine

Standard CAS: 4922-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4922-99-0
Multi CAS
Yes
Molecular Formula
C6H6N4S
Molecular Weight
166.210000
Exact Mass
166.031317
InChI
InChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKey
XMLRXJVRTGHHIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.11
TPSA
67.59

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-2.94

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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