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

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

CAS No.:
329222-96-0
Catalog Number:
AG00COSV
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
5g
95%
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United States
$1136
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Product Description
Catalog Number:
AG00COSV
Chemical Name:
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number:
329222-96-0
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD01114964
IUPAC Name:
2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C11H14N2S/c1-2-7-3-4-8-9(6-12)11(13)14-10(8)5-7/h7H,2-5,13H2,1H3
InChI Key:
UJSSIVVJQQNBCO-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1)sc(c2C#N)N
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C. Journal of medicinal chemistry 20101209
Properties