6-Chlorobenzo[d]thiazole-2-thiol

Name: 6-Chlorobenzo[d]thiazole-2-thiol
Brand: ChemScene
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CAS No. 51618-29-2
Cat. No. CS-0155739
Purity≥98%
MDL No.MFCD00665746

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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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6-Chlorobenzo[d]thiazole-2-thiol|CS-0155739

Structure of 51618-29-2

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Description

6-Chlorobenzo[d]thiazole-2-thiol features a reactive thiol group flanked by a chlorine-substituted benzothiazole scaffold, enabling direct coupling in cross-coupling and bioconjugation workflows. The electron-deficient ring system enhances nucleophilicity at the thiol site, supporting efficient derivatization under mild conditions. This bench-stable compound serves as a robust building block for heterocyclic synthesis and functional material design.

Application

6-Chlorobenzo[d]thiazole-2-thiol serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles. Its thiol functionality facilitates palladium-catalyzed cross-coupling reactions and nucleophilic substitutions, while the chlorine substituent supports further functionalization via SNAr or transition-metal-mediated transformations. The molecule exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis campaigns in API development.

General Information

CAS No. 51618-29-2
Cat. No. CS-0155739
Purity ≥98%
MDL No. MFCD00665746
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNS₂
Molecular Weight None
Synonym(s) 6-chlorobenzothiazole-2-thiol
SMILES C1=CC2=C(C=C1Cl)SC(=N2)S

Computational Chemistry Data

TPSA 12.89
LogP 3.2384
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

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 : H302-H315-H319-H335-H312-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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6-Chlorobenzo[d]thiazole-2-thiol

CAS No. 51618-29-2

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