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CAS 2349-58-8 4,5-DIPHENYL-2-IMIDAZOLETHIOL molecular structure lightbox
CAS RN: 2349-58-8

4,5-DIPHENYL-2-IMIDAZOLETHIOL

  • Product code: SSC-113354
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2349-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

2349-58-8 / 4,5-diphenyl-1,3-dihydroimidazole-2-thione

Standard CAS: 2349-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2349-58-8
Multi CAS
No
Molecular Formula
C15H12N2S
Molecular Weight
252.300000
Exact Mass
252.072120
SMILES
C1=CC=C(C=C1)C2=C(NC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
InChIKey
GMTAWLUJHGIUPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
76.85
TPSA
31.58

LogP / Solubility

WLOGP
4.41
MLOGP
3.88
XLogP3
3
Consensus LogP
3.76
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.13

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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