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CAS 39123-65-4 3-BENZYL-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE molecular structure lightbox
CAS RN: 39123-65-4

3-BENZYL-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE

  • Product code: SSC-146738
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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: ≥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 39123-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

39123-65-4 / 3-benzyl-2-sulfanylideneimidazolidin-4-one

Standard CAS: 39123-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39123-65-4
Multi CAS
No
Molecular Formula
C10H10N2OS
Molecular Weight
206.270000
Exact Mass
206.051384
InChI
InChI=1S/C10H10N2OS/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKey
GDIIUSNPCPWLIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.59
TPSA
32.34

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
1.4
Consensus LogP
1.03
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.34

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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