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CAS 272-16-2 Benzo[d]Isothiazole molecular structure lightbox
CAS RN: 272-16-2

Benzo[d]Isothiazole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 100mg In stock Shanghai Inquiry
Batchno.20260318 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20250117 1g In stock Shanghai Inquiry
Batchno.20250324 250mg In stock Shanghai Inquiry
Batchno.20250823 5g Out of stock Inquiry
  • Product code: starshine_CAS272-16-2
  • Purity/Analytical Methods: >99.0%
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272-16-2 / 1,2-benzothiazole

Standard CAS: 272-16-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
272-16-2
Multi CAS
No
Molecular Formula
C7H5NS
Molecular Weight
135.190000
Exact Mass
135.014270
SMILES
C1=CC=C2C(=C1)C=NS2
InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChIKey
CSNIZNHTOVFARY-UHFFFAOYSA-N

Physical Properties

Physical Description
Melting point = 38 deg C; [ChemIDplus]

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
39.62
TPSA
12.89

LogP / Solubility

WLOGP
2.3
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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