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CAS 536-33-4 Ethionamide molecular structure lightbox
CAS RN: 536-33-4

Ethionamide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250422 100g In stock Inquiry
Batchno.20250304 25g In stock Inquiry
Batchno.20250112 5g In stock Inquiry
  • Product code: SSC-160969
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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: 25g
  • Available purity: ≥98%
  • 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 536-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

536-33-4 / 2-ethylpyridine-4-carbothioamide

Standard CAS: 536-33-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
536-33-4
Multi CAS
Yes
Molecular Formula
C8H10N2S
Molecular Weight
166.250000
Exact Mass
166.056470
InChI
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChIKey
AEOCXXJPGCBFJA-UHFFFAOYSA-N

Physical Properties

Melting Point
327 to 331 °F (Decomposes) (NTP, 1992) 164-166 °C (decomposes) 163 °C
Physical Description
Ethionamide appears as yellow crystals or canary yellow powder with a faint to moderate sulfide odor. (NTP, 1992) Solid
Appearance
Yellow crystals from ethanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.5
TPSA
38.91

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.83

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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