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CAS 1753-29-3 benzo[d][1,2,3]thiadiazol-5-aMine molecular structure lightbox
CAS RN: 1753-29-3

benzo[d][1,2,3]thiadiazol-5-aMine

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100mg In stock Shanghai Inquiry
Batchno.20260511 1g In stock Shanghai Inquiry
Batchno.20250108 250mg In stock Shanghai Inquiry
Batchno.20260127 25mg In stock Shanghai Inquiry
Batchno.20250108 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250627 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1753-29-3
  • Purity/Analytical Methods: >99.0%
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1753-29-3 / 1,2,3-benzothiadiazol-5-amine

Standard CAS: 1753-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1753-29-3
Multi CAS
No
Molecular Formula
C6H5N3S
Molecular Weight
151.190000
Exact Mass
151.020418
SMILES
C1=CC2=C(C=C1N)N=NS2
InChI
InChI=1S/C6H5N3S/c7-4-1-2-6-5(3-4)8-9-10-6/h1-3H,7H2
InChIKey
NTOZWWRQYAJWGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.83
TPSA
51.8

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.74

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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