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CAS 4714-67-4 4-AMINOTHIOBENZAMIDE molecular structure lightbox
CAS RN: 4714-67-4

4-AMINOTHIOBENZAMIDE

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7 package records7 with current stock2 grade groups
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Batchno.20250516 1g In stock Inquiry
Batchno.20251220 25g In stock Inquiry
Batchno.20250815 5g In stock Inquiry
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Batchno.20260307 100g In stock Shanghai Inquiry
Batchno.20250407 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260616 25g In stock Shanghai Inquiry
Batchno.20260612 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS4714-67-4
  • Purity/Analytical Methods: >99.0%
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4714-67-4 / 4-aminobenzenecarbothioamide

Standard CAS: 4714-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4714-67-4
Multi CAS
No
Molecular Formula
C7H8N2S
Molecular Weight
152.220000
Exact Mass
152.040819
InChI
InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
LZJVSPPXXGXGQL-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
1.1
Consensus LogP
0.93
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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