Benzo[d]isothiazole

Name: Benzo[d]isothiazole
Brand: ChemScene
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CAS No. 272-16-2
Cat. No. CS-0155958
Purity≥97%
MDL No.MFCD00270827

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 272-16-2

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General Information

CAS No. 272-16-2
Cat. No. CS-0155958
Purity ≥97%
MDL No. MFCD00270827
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅NS
Molecular Weight 135.19
Synonym(s) 9-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES C1=CC=C2C(=C1)C=NS2

Description

Benzo[d]isothiazole is a heterocyclic scaffold featuring a fused benzene ring and a sulfur-nitrogen-containing five-membered ring, conferring enhanced electron-deficient character. This structure enables robust participation in cross-coupling reactions and serves as a key building block in the synthesis of advanced pharmaceutical intermediates and functional materials.

Application

Benzo[d]isothiazole serves as a versatile heterocyclic scaffold in medicinal chemistry, offering a robust platform for bioactive molecule discovery. Its core structure enables selective functionalization at multiple positions, facilitating diverse downstream transformations. The compound exhibits favorable bench stability and compatibility with common coupling reactions, supporting efficient synthesis of complex molecular architectures.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 2.2963
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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Benzo[d]isothiazole

CAS No. 272-16-2

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