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CAS 847783-74-8 4-ETHYL-5-MORPHOLIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure lightbox
CAS RN: 847783-74-8

4-ETHYL-5-MORPHOLIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL

  • Product code: SSC-192375
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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 847783-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

847783-74-8 / 4-ethyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione

Standard CAS: 847783-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
847783-74-8
Multi CAS
No
Molecular Formula
C8H14N4OS
Molecular Weight
214.290000
Exact Mass
214.088832
InChI
InChI=1S/C8H14N4OS/c1-2-12-7(9-10-8(12)14)11-3-5-13-6-4-11/h2-6H2,1H3,(H,10,14)
InChIKey
VYSYDSSGQZYSEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.12
TPSA
46.08

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
Consensus LogP
0.5
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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