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CAS 1093092-64-8 6-Bromo-[1,2,4)triazolo[4,3-a)pyridine-3-thiol molecular structure lightbox
CAS RN: 1093092-64-8

6-Bromo-[1,2,4)triazolo[4,3-a)pyridine-3-thiol

  • Product code: SSC-010567
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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 1093092-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1093092-64-8 / 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione

6-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-thiol | 6-Bromo[1,2,4]triazolo[4,3-a]pyridine-3-thiol | 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione

Standard CAS: 1093092-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093092-64-8
Multi CAS
No
Molecular Formula
C6H4BrN3S
Molecular Weight
230.090000
Exact Mass
228.930930
SMILES
C1=CC2=NNC(=S)N2C=C1Br
InChI
InChI=1S/C6H4BrN3S/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)
InChIKey
AFQWVXJSXQFTIS-UHFFFAOYSA-N
Synonyms
6-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-thiol 6-Bromo[1,2,4]triazolo[4,3-a]pyridine-3-thiol 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione MFCD11504977 6-bromo-1,2,4-Triazolo[4,3-a]pyridine-3(2H)-thione

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.08
TPSA
33.09

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
1.1
Consensus LogP
1.72
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.59

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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