4651-91-6 | 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$6.00
5g	98%	in stock	$27.00	$19.00
10g	98%	in stock	$53.00	$38.00
25g	98%	in stock	$86.00	$61.00

Description

• Catalog Number: AD29230
• Chemical Name: 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
• CAS Number: 4651-91-6
• Molecular Formula: C9H10N2S
• Molecular Weight: 178.2541
• MDL Number: MFCD00128278
• SMILES: N#Cc1c(N)sc2c1CCCC2
• NSC Number: 86907

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.8

Literature

• 2-[(4-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

  Acta crystallographica. Section E, Structure reports online 20110901

• 2-[(2-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

  Acta crystallographica. Section E, Structure reports online 20110901

• 2-[(1,3-Benzodioxol-5-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

  Acta crystallographica. Section E, Structure reports online 20110801

• Benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidines: synthesis, characterization, antimicrobial activity, and incorporation into solid lipid nanoparticles.

  Archiv der Pharmazie 20110601

• Novel synthesis and antitumor evaluation of polyfunctionally substituted heterocyclic compounds derived from 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide.

  Molecules (Basel, Switzerland) 20101227

• Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

  Journal of medicinal chemistry 20101209

• Antiarrhythmic, serotonin antagonist and antianxiety activities of novel substituted thiophene derivatives synthesized from 2-amino-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide.

  European journal of medicinal chemistry 20101201

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101