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CAS 5351-90-6 SALICYLALDEHYDE THIOSEMICARBAZONE 95 molecular structure lightbox
CAS RN: 5351-90-6

SALICYLALDEHYDE THIOSEMICARBAZONE 95

  • Product code: SSC-160875
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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: 1g
  • Available purity: ＞97%
  • 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 5351-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

5351-90-6 / [(2-hydroxyphenyl)methylideneamino]thiourea

Standard CAS: 5351-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5351-90-6
Multi CAS
Yes
Molecular Formula
C8H9N3OS
Molecular Weight
195.240000
Exact Mass
195.046633
InChI
InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKey
OHNSRYBTSVDDKA-BJMVGYQFSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.62
TPSA
70.64

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.8
Consensus LogP
0.62
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

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

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