(S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid

Name: (S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 2749963-99-1
Cat. No. CS-0618139
Molecule weight236.29
Purity≥97%
MDL No.None

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(S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid|CS-0618139

Structure of 2749963-99-1

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General Information

CAS No. 2749963-99-1
Cat. No. CS-0618139
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂N₂O₂S
Molecular Weight 236.29
Synonym(s) None
SMILES O=C([C@@]1(C)CCCC2=C1C(C#N)=C(N)S2)O

Description

This chiral tetrahydrobenzo[b]thiophene scaffold features a strategically positioned amino group, cyano functionality, and methyl-substituted ring system, enabling direct integration into bioactive molecule design. The carboxylic acid moiety provides a handle for conjugation or salt formation. Bench-stable under standard conditions, this compound serves as a high-purity building block for medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

(S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid serves as a versatile chiral building block for the synthesis of biologically active heterocycles. Its well-defined stereochemistry and complementary functional groups—amino, cyano, carboxylic acid, and methyl—enable diverse transformations including amidation, cyclization, and metal-catalyzed coupling reactions. The molecule exhibits good bench stability and facilitates efficient purification, making it suitable for medicinal chemistry campaigns and process development workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 87.11
LogP 1.88058
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Drug Discovery Cancer KRAS

Key Words

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(S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid

CAS No. 2749963-99-1

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