Benzo[d]thiazol-2-ylmethanamine

Name: Benzo[d]thiazol-2-ylmethanamine
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CAS No. 42182-65-0
Cat. No. CS-0043841
Molecule weight164.23
Purity≥95%
MDL No.MFCD06660504

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Benzo[d]thiazol-2-ylmethanamine|CS-0043841

Structure of 42182-65-0

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General Information

CAS No. 42182-65-0
Cat. No. CS-0043841
Purity ≥95%
MDL No. MFCD06660504
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂S
Molecular Weight 164.23
Synonym(s) 1,3-Benzothiazol-2-ylmethylamine
SMILES NCC1=NC2=CC=CC=C2S1

Description

Benzo[d]thiazol-2-ylmethanamine delivers a rigid, electron-rich heterocyclic scaffold ideal for bioactive molecule synthesis. This bench-stable amine integrates readily into pharmaceutical intermediates and functional materials, leveraging its ortho-positioned nitrogen for efficient coupling reactions and enhanced molecular polarity.

Application

Benzo[d]thiazol-2-ylmethanamine serves as a versatile building block for heterocyclic scaffolds, enabling efficient access to biologically relevant frameworks. Its amine functionality facilitates conjugation with electrophiles, while the fused benzothiazole core provides structural rigidity and enhanced metabolic stability. The compound exhibits good bench stability and is compatible with standard coupling protocols, making it suitable for medicinal chemistry campaigns and process-scale synthesis.

Synthesis

Route1
- 1028436-75-0
- ~89%
- In-stock
  
  42182-65-0
References
- Salvadori, Severo; Fiorini, Stella; Trapella, Claudio; Porreca, Frank; Davis, Peg; Sasaki, Yusuke; Ambo, Akihiro; Marczak, Ewa D.; Lazarus, Lawrence H.; Balboni, Gianfranco Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 6 p. 3032 - 3038
Route2
- 137-07-5
- ~%
- In-stock
  
  42182-65-0
References
- Kiprianov,A.I.; Verbovskaya,T.M. J. Gen. Chem. USSR (Engl. Transl.), 1962 , vol. 32, p. 3703,3630 - 3634
Route3
- In-stock
  
  29182-42-1
- ~%
- In-stock
  
  42182-65-0
References
- Baudet,P.; Otten,C. Helvetica Chimica Acta, 1970 , vol. 53, p. 1683 - 1693

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 38.91
LogP 1.755
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

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Benzo[d]thiazol-2-ylmethanamine

CAS No. 42182-65-0

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