Home Nitriles 2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS No.:
1339396-84-7
Catalog Number:
AG01AN4V
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
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Product Description
Catalog Number:
AG01AN4V
Chemical Name:
2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number:
1339396-84-7
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
MDL Number:
MFCD16853092
IUPAC Name:
2-amino-6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C12H16N2S/c1-7(2)8-3-4-9-10(6-13)12(14)15-11(9)5-8/h7-8H,3-5,14H2,1-2H3
InChI Key:
BQCQVQDGCIBEKF-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCC(C2)C(C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties