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CAS 833-63-6 2-AMINO-5-(4-NITROPHENYL)-1 3 4-THIADIA& molecular structure lightbox
CAS RN: 833-63-6

2-AMINO-5-(4-NITROPHENYL)-1 3 4-THIADIA&

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250615 1g In stock Inquiry
Batchno.20250525 5g In stock Inquiry
  • Product code: SSC-191200
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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 833-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

833-63-6 / 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

Standard CAS: 833-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
833-63-6
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)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)
InChIKey
XAPNDVNSXWXPJS-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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