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CAS 5351-70-2 Cinnamaldehyde thiosemicarbazone molecular structure lightbox
CAS RN: 5351-70-2

Cinnamaldehyde thiosemicarbazone

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2 package records0 with current stock1 grade group
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Batchno.20260516 1g Out of stock Inquiry
Batchno.20251005 5g Out of stock Inquiry
  • Product code: starshine_CAS5351-70-2
  • Purity/Analytical Methods: >99.0%
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5351-70-2 / [[(E)-3-phenylprop-2-enylidene]amino]thiourea

Standard CAS: 5351-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5351-70-2
Multi CAS
Yes
Molecular Formula
C10H11N3S
Molecular Weight
205.280000
Exact Mass
205.067369
InChI
InChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)
InChIKey
SHUQFXIRXYXNOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.89
TPSA
50.41

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.89

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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