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CAS 833-47-6 5-(3-NITRO-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 833-47-6

5-(3-NITRO-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE

Product Availability

Choose a grade to view its available package options.

7 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251226 100mg Out of stock Inquiry
Batchno.20250325 10g Out of stock Inquiry
Batchno.20260207 1g In stock Shanghai Inquiry
Batchno.20250814 250mg Out of stock Inquiry
Batchno.20250421 25g Out of stock Inquiry
Batchno.20260616 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-191198
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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: ≥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 833-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

833-47-6 / 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine

Standard CAS: 833-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
833-47-6
Multi CAS
Yes
Molecular Formula
C8H6N4O2S
Molecular Weight
222.230000
Exact Mass
222.021147
InChI
InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKey
IQTFBFZCUYGFES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
56.41
TPSA
94.94

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.5
Consensus LogP
1.56
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

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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