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CAS 3690-46-8 5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL molecular structure lightbox
CAS RN: 3690-46-8

5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250624 250mg Out of stock Inquiry
Batchno.20250315 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS3690-46-8
  • Purity/Analytical Methods: >99.0%
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3690-46-8 / 5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione

Standard CAS: 3690-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3690-46-8
Multi CAS
Yes
Molecular Formula
C7H5N3OS
Molecular Weight
179.200000
Exact Mass
179.015333
InChI
InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)
InChIKey
QBLWWQDTKCIRSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.92
TPSA
54.71

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1
Consensus LogP
1.46
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

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

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