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CAS 175204-46-3 2,6-DICHLOROPYRIDINE-4-CARBOTHIOAMIDE molecular structure lightbox
CAS RN: 175204-46-3

2,6-DICHLOROPYRIDINE-4-CARBOTHIOAMIDE

  • Product code: SSC-076848
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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 175204-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

175204-46-3 / 2,6-dichloropyridine-4-carbothioamide

Standard CAS: 175204-46-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175204-46-3
Multi CAS
No
Molecular Formula
C6H4Cl2N2S
Molecular Weight
207.080000
Exact Mass
205.947225
SMILES
C1=C(C=C(N=C1Cl)Cl)C(=S)N
InChI
InChI=1S/C6H4Cl2N2S/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)
InChIKey
QZDZCVBAYMPTBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.14
TPSA
38.91

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.55

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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