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CAS 346464-59-3 5-(2-METHYL-3-FURYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure lightbox
CAS RN: 346464-59-3

5-(2-METHYL-3-FURYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL

  • Product code: SSC-141188
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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 346464-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

346464-59-3 / 3-(2-methylfuran-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

Standard CAS: 346464-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
346464-59-3
Multi CAS
No
Molecular Formula
C13H11N3OS
Molecular Weight
257.310000
Exact Mass
257.062283
InChI
InChI=1S/C13H11N3OS/c1-9-11(7-8-17-9)12-14-15-13(18)16(12)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,18)
InChIKey
UGMHSMHHRNSVFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.19
TPSA
46.75

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
2.7
Consensus LogP
3.1
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

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

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