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Home Nitriles 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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

CAS No.:
4651-91-6
Catalog Number:
AG00726U
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$34
- +
5g
98%
In Stock USA
United States
$119
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00726U
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
IUPAC Name:
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChI Key:
ADHVMGAFAKSNOM-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCCC2
EC Number:
225-085-3
NSC Number:
86907
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
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
Properties