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CAS 31437-05-5 N-Pyrazinylthiourea molecular structure lightbox
CAS RN: 31437-05-5

N-Pyrazinylthiourea

  • Product code: SSC-136827
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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: 5g
  • 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 31437-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

31437-05-5 / pyrazin-2-ylthiourea

Standard CAS: 31437-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31437-05-5
Multi CAS
No
Molecular Formula
C5H6N4S
Molecular Weight
154.200000
Exact Mass
154.031317
InChI
InChI=1S/C5H6N4S/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKey
TWGSSYKLXJRVDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.44
TPSA
63.83

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.57

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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