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CAS 6962-54-5 2-QUINOXALINETHIOL molecular structure lightbox
CAS RN: 6962-54-5

2-QUINOXALINETHIOL

  • Product code: SSC-179333
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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: ＞97%
  • 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 6962-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

6962-54-5 / 1H-quinoxaline-2-thione

Standard CAS: 6962-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6962-54-5
Multi CAS
No
Molecular Formula
C8H6N2S
Molecular Weight
162.210000
Exact Mass
162.025169
InChI
InChI=1S/C8H6N2S/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey
INQXGZFDGDSRIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.93
TPSA
28.68

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
1.4
Consensus LogP
1.9
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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