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CAS 2454-39-9 2-AMINO-THIOBENZAMIDE molecular structure lightbox
CAS RN: 2454-39-9

2-AMINO-THIOBENZAMIDE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 1g In stock Inquiry
Batchno.20260227 250mg In stock Inquiry
Batchno.20250317 25g In stock Inquiry
Batchno.20250907 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251006 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250208 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250924 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-119231
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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 2454-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

2454-39-9 / 2-aminobenzenecarbothioamide

Standard CAS: 2454-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2454-39-9
Multi CAS
No
Molecular Formula
C7H8N2S
Molecular Weight
152.220000
Exact Mass
152.040819
SMILES
C1=CC=C(C(=C1)C(=S)N)N
InChI
InChI=1S/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
HPZKAJRFABCGFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.74
TPSA
52.04

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.01

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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