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CAS 3004-42-0 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL molecular structure lightbox
CAS RN: 3004-42-0

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 200mg / 1g / 10g / 50g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-133627
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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: ≥98%
  • 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 3004-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

3004-42-0 / 5-phenyl-3H-1,3,4-oxadiazole-2-thione

Standard CAS: 3004-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3004-42-0
Multi CAS
Yes
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
InChI
InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
InChIKey
FOHWXVBZGSVUGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.12
TPSA
41.82

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.1

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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