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CAS 923862-35-5 1-(2-FURYLMETHYL)-5-PHENYL-1H-IMIDAZOLE-2-THIOL molecular structure lightbox
CAS RN: 923862-35-5

1-(2-FURYLMETHYL)-5-PHENYL-1H-IMIDAZOLE-2-THIOL

  • Product code: SSC-206039
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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: 0.25g
  • 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 923862-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

923862-35-5 / 3-(furan-2-ylmethyl)-4-phenyl-1H-imidazole-2-thione

Standard CAS: 923862-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
923862-35-5
Multi CAS
No
Molecular Formula
C14H12N2OS
Molecular Weight
256.320000
Exact Mass
256.067034
InChI
InChI=1S/C14H12N2OS/c18-14-15-9-13(11-5-2-1-3-6-11)16(14)10-12-7-4-8-17-12/h1-9H,10H2,(H,15,18)
InChIKey
UDOSIFRCNNSQCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.86
TPSA
33.86

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
2.2
Consensus LogP
3.15
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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