2-Amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Name: 2-Amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
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CAS No. 37071-21-9
Cat. No. CS-0314842
Molecule weight254.35
Purity≥98%
MDL No.MFCD02656574

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2-Amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile|CS-0314842

Structure of 37071-21-9

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General Information

CAS No. 37071-21-9
Cat. No. CS-0314842
Purity ≥98%
MDL No. MFCD02656574
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₄N₂S
Molecular Weight 254.35
Synonym(s) 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SMILES C1=CC=C(C=C1)C2CCC3=C(C2)SC(=C3C#N)N

Description

This tetrahydrobenzo[b]thiophene derivative features a conjugated nitrile group and an aromatic phenyl substituent, enabling integration into π-stacked systems. The amino functionality provides a handle for derivatization, while the saturated core enhances metabolic stability. Ideal for medicinal chemistry scaffolds requiring balanced lipophilicity and solubility.

Application

2-Amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. The molecule combines a reducible nitrile group with an amino functionality on a stable tetrahydrobenzo[b]thiophene scaffold, enabling diverse downstream transformations including amidation, cyclization, and electrophilic functionalization. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient incorporation into 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 49.81
LogP 3.47448
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS No. 37071-21-9

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