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CAS 30192-78-0 1-(3-CHLOROPHENYL)-5-PHENYL-1H-IMIDAZOLE-2-THIOL molecular structure lightbox
CAS RN: 30192-78-0

1-(3-CHLOROPHENYL)-5-PHENYL-1H-IMIDAZOLE-2-THIOL

  • Product code: SSC-133937
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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 30192-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

30192-78-0 / 3-(3-chlorophenyl)-4-phenyl-1H-imidazole-2-thione

Standard CAS: 30192-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30192-78-0
Multi CAS
No
Molecular Formula
C15H11CLN2S
Molecular Weight
286.800000
Exact Mass
286.033147
InChI
InChI=1S/C15H11ClN2S/c16-12-7-4-8-13(9-12)18-14(10-17-15(18)19)11-5-2-1-3-6-11/h1-10H,(H,17,19)
InChIKey
QTRUCDUIWBUCJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.4
TPSA
20.72

LogP / Solubility

WLOGP
4.86
MLOGP
4.28
XLogP3
3.7
Consensus LogP
4.28
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
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)
-1.02

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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