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CAS 265326-54-3 4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile molecular structure lightbox
CAS RN: 265326-54-3

4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile

  • Product code: SSC-124491
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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 265326-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

265326-54-3 / 4-(2-chlorophenyl)thiadiazole-5-carbonitrile

Standard CAS: 265326-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265326-54-3
Multi CAS
No
Molecular Formula
C9H4ClN3S
Molecular Weight
221.670000
Exact Mass
220.981446
SMILES
C1=CC=C(C(=C1)C2=C(SN=N2)C#N)Cl
InChI
InChI=1S/C9H4ClN3S/c10-7-4-2-1-3-6(7)9-8(5-11)14-13-12-9/h1-4H
InChIKey
OXRDLPAZAYQTFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.07
TPSA
49.57

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.8
Consensus LogP
2.65
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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