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CAS 2196-13-6 Thioisonicotinamide molecular structure lightbox
CAS RN: 2196-13-6

Thioisonicotinamide

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 100g In stock Shanghai Inquiry
Batchno.20260310 10g In stock Shanghai Inquiry
Batchno.20250120 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260216 25g In stock Shanghai Inquiry
Batchno.20250821 500g In stock Shanghai Inquiry
Batchno.20260205 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-105609
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 100g, 5g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2196-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 4 In Stock Shanghai Inquiry
100g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

2196-13-6 / pyridine-4-carbothioamide

Standard CAS: 2196-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2196-13-6
Multi CAS
No
Molecular Formula
C6H6N2S
Molecular Weight
138.190000
Exact Mass
138.025169
SMILES
C1=CN=CC=C1C(=S)N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey
KPIIGXWUNXGGCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.12
TPSA
38.91

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.05

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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